NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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2978 |
1d0u   |
cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 1H5* G 1 -13.402 -5.334 -9.617
2 2H5* G 1 2H5* G 1 -14.954 -5.084 -10.455
3 H4* G 1 H4* G 1 -16.119 -6.094 -8.569
4 H3* G 1 H3* G 1 -13.412 -5.857 -7.223
5 H2* G 1 1H2* G 1 -13.857 -7.801 -5.978
6 2HO* G 1 2HO* G 1 -16.535 -7.785 -6.966
7 H1* G 1 H1* G 1 -14.980 -9.249 -8.025
8 H8 G 1 H8 G 1 -12.227 -7.830 -9.866
9 H1 G 1 H1 G 1 -9.930 -11.570 -5.243
10 1H2 G 1 1H2 G 1 -13.152 -11.402 -3.924
11 2H2 G 1 2H2 G 1 -11.524 -12.022 -3.768
12 H5T G 1 H5T G 1 -14.436 -3.152 -9.585
13 1H5* G 2 1H5* G 2 -15.644 -7.068 -4.060
14 2H5* G 2 2H5* G 2 -15.831 -5.640 -3.008
15 H4* G 2 H4* G 2 -15.326 -7.465 -1.562
16 H3* G 2 H3* G 2 -12.821 -5.909 -2.284
17 H2* G 2 1H2* G 2 -11.576 -7.290 -0.829
18 2HO* G 2 2HO* G 2 -12.714 -8.886 0.485
19 H1* G 2 H1* G 2 -12.712 -9.648 -1.626
20 H8 G 2 H8 G 2 -12.333 -7.457 -4.654
21 H1 G 2 H1 G 2 -6.808 -10.083 -2.873
22 1H2 G 2 1H2 G 2 -8.522 -10.992 0.022
23 2H2 G 2 2H2 G 2 -7.019 -11.015 -0.871
24 1H5* G 3 1H5* G 3 -12.769 -5.786 1.903
25 2H5* G 3 2H5* G 3 -12.030 -4.289 2.527
26 H4* G 3 H4* G 3 -10.826 -6.440 3.113
27 H3* G 3 H3* G 3 -9.446 -4.347 1.392
28 H2* G 3 1H2* G 3 -7.468 -5.617 1.556
29 2HO* G 3 2HO* G 3 -7.431 -6.170 3.715
30 H1* G 3 H1* G 3 -8.684 -8.075 1.241
31 H8 G 3 H8 G 3 -10.276 -5.847 -1.267
32 H1 G 3 H1 G 3 -4.298 -7.312 -2.919
33 1H2 G 3 1H2 G 3 -4.013 -8.491 0.350
34 2H2 G 3 2H2 G 3 -3.240 -8.235 -1.199
35 1H5* A 4 1H5* A 4 -6.975 -4.149 5.108
36 2H5* A 4 2H5* A 4 -6.115 -2.596 5.090
37 H4* A 4 H4* A 4 -4.692 -4.734 4.846
38 H3* A 4 H3* A 4 -4.614 -2.397 2.911
39 H2* A 4 1H2* A 4 -2.865 -3.447 1.740
40 2HO* A 4 2HO* A 4 -1.453 -4.283 3.124
41 H1* A 4 H1* A 4 -3.904 -5.992 1.834
42 H8 A 4 H8 A 4 -6.766 -3.709 1.116
43 1H6 A 4 1H6 A 4 -4.848 -3.383 -4.723
44 2H6 A 4 2H6 A 4 -6.153 -3.013 -3.619
45 H2 A 4 H2 A 4 -1.621 -5.366 -2.307
46 1H5* U 5 1H5* U 5 -0.508 -2.757 4.150
47 2H5* U 5 2H5* U 5 0.234 -1.146 4.238
48 H4* U 5 H4* U 5 1.367 -2.691 2.609
49 H3* U 5 H3* U 5 0.041 -0.129 1.669
50 H2* U 5 1H2* U 5 0.807 -0.534 -0.510
51 2HO* U 5 2HO* U 5 2.265 -2.812 -0.134
52 H1* U 5 H1* U 5 0.379 -3.265 -0.519
53 H3 U 5 H3 U 5 -2.437 -1.375 -3.576
54 H5 U 5 H5 U 5 -4.302 -0.743 0.147
55 H6 U 5 H6 U 5 -2.287 -1.556 1.223
56 1H5* C 6 1H5* C 6 4.158 -0.291 -0.092
57 2H5* C 6 2H5* C 6 4.836 1.309 0.277
58 H4* C 6 H4* C 6 5.196 0.808 -2.085
59 H3* C 6 H3* C 6 3.093 2.893 -1.431
60 H2* C 6 1H2* C 6 2.742 3.282 -3.716
61 2HO* C 6 2HO* C 6 5.214 3.051 -4.036
62 H1* C 6 H1* C 6 2.893 0.652 -4.534
63 1H4 C 6 1H4 C 6 -3.203 1.816 -2.194
64 2H4 C 6 2H4 C 6 -3.332 1.836 -3.940
65 H5 C 6 H5 C 6 -1.110 1.590 -1.028
66 H6 C 6 H6 C 6 1.310 1.318 -1.280
67 1H5* A 7 1H5* A 7 6.013 7.742 -2.415
68 2H5* A 7 2H5* A 7 4.402 7.167 -1.942
69 H4* A 7 H4* A 7 5.788 6.880 -4.628
70 H3* A 7 H3* A 7 3.230 8.136 -3.583
71 H2* A 7 1H2* A 7 2.192 7.743 -5.649
72 2HO* A 7 2HO* A 7 3.493 8.250 -7.267
73 H1* A 7 H1* A 7 3.290 5.244 -6.105
74 H8 A 7 H8 A 7 2.162 5.604 -2.516
75 1H6 A 7 1H6 A 7 -3.506 4.136 -4.413
76 2H6 A 7 2H6 A 7 -2.485 4.409 -3.019
77 H2 A 7 H2 A 7 -0.948 4.792 -8.049
78 1H5* C 8 1H5* C 8 1.688 11.977 -6.249
79 2H5* C 8 2H5* C 8 1.317 10.378 -5.573
80 H4* C 8 H4* C 8 2.105 10.688 -8.480
81 H3* C 8 H3* C 8 -0.594 11.157 -7.170
82 H2* C 8 1H2* C 8 -1.638 10.134 -9.023
83 2HO* C 8 2HO* C 8 -0.185 9.436 -10.832
84 H1* C 8 H1* C 8 0.108 8.036 -9.240
85 1H4 C 8 1H4 C 8 -3.922 6.636 -4.182
86 2H4 C 8 2H4 C 8 -4.889 6.301 -5.601
87 H5 C 8 H5 C 8 -1.743 7.648 -4.280
88 H6 C 8 H6 C 8 -0.017 8.567 -5.754
89 1H5* C 9 1H5* C 9 -1.366 12.709 -11.062
90 2H5* C 9 2H5* C 9 -2.654 13.925 -10.933
91 H4* C 9 H4* C 9 -3.217 11.737 -12.180
92 H3* C 9 H3* C 9 -4.841 12.857 -9.871
93 H2* C 9 1H2* C 9 -6.394 11.120 -10.141
94 2HO* C 9 2HO* C 9 -5.130 10.647 -12.659
95 H1* C 9 H1* C 9 -4.570 9.112 -10.679
96 1H4 C 9 1H4 C 9 -4.977 9.679 -4.105
97 2H4 C 9 2H4 C 9 -6.323 8.653 -4.549
98 H5 C 9 H5 C 9 -3.574 10.787 -5.720
99 H6 C 9 H6 C 9 -3.149 11.139 -8.106
100 1H5* A 10 1H5* A 10 -8.145 12.199 -12.261
101 2H5* A 10 2H5* A 10 -9.366 13.338 -11.658
102 H4* A 10 H4* A 10 -9.588 10.803 -11.035
103 H3* A 10 H3* A 10 -9.793 13.164 -9.138
104 H2* A 10 1H2* A 10 -10.251 11.699 -7.352
105 2HO* A 10 2HO* A 10 -10.494 9.578 -9.255
106 H1* A 10 H1* A 10 -8.409 9.774 -8.021
107 H8 A 10 H8 A 10 -6.756 13.063 -8.629
108 1H6 A 10 1H6 A 10 -5.746 13.480 -2.569
109 2H6 A 10 2H6 A 10 -5.366 14.158 -4.136
110 H2 A 10 H2 A 10 -8.596 10.077 -3.280
111 1H5* U 11 1H5* U 11 -12.587 10.724 -7.907
112 2H5* U 11 2H5* U 11 -14.208 11.327 -8.305
113 H4* U 11 H4* U 11 -14.174 10.385 -6.030
114 H3* U 11 H3* U 11 -15.299 12.775 -6.683
115 H2* U 11 1H2* U 11 -13.484 14.171 -6.159
116 2HO* U 11 2HO* U 11 -14.006 15.204 -4.269
117 H1* U 11 H1* U 11 -12.863 12.682 -3.618
118 H3 U 11 H3 U 11 -9.039 14.950 -3.086
119 H5 U 11 H5 U 11 -9.360 14.692 -7.278
120 H6 U 11 H6 U 11 -11.448 13.497 -6.980
121 1H5* U 12 1H5* U 12 -18.422 10.700 -3.050
122 2H5* U 12 2H5* U 12 -18.438 11.644 -1.550
123 H4* U 12 H4* U 12 -16.692 9.490 -2.324
124 H3* U 12 H3* U 12 -17.843 10.417 -0.040
125 H2* U 12 1H2* U 12 -16.590 12.336 0.266
126 2HO* U 12 2HO* U 12 -15.138 10.200 1.452
127 H1* U 12 H1* U 12 -13.993 11.070 -0.559
128 H3 U 12 H3 U 12 -12.116 15.131 -0.348
129 H5 U 12 H5 U 12 -15.817 15.924 -2.199
130 H6 U 12 H6 U 12 -16.373 13.577 -1.948
131 1H5* A 13 1H5* A 13 -18.182 8.036 -1.696
132 2H5* A 13 2H5* A 13 -18.953 6.439 -1.633
133 H4* A 13 H4* A 13 -17.643 6.189 -3.531
134 H3* A 13 H3* A 13 -16.669 4.886 -1.252
135 H2* A 13 1H2* A 13 -14.752 6.138 -0.922
136 2HO* A 13 2HO* A 13 -14.089 4.036 -1.817
137 H1* A 13 H1* A 13 -14.403 6.721 -3.860
138 H8 A 13 H8 A 13 -14.746 8.388 -0.389
139 1H6 A 13 1H6 A 13 -9.829 11.726 -1.979
140 2H6 A 13 2H6 A 13 -10.958 11.364 -0.694
141 H2 A 13 H2 A 13 -10.963 9.136 -5.466
142 1H5* G 14 1H5* G 14 -14.176 1.438 -5.205
143 2H5* G 14 2H5* G 14 -13.918 2.556 -3.841
144 H4* G 14 H4* G 14 -15.515 3.489 -6.226
145 H3* G 14 H3* G 14 -12.544 2.879 -6.200
146 H2* G 14 1H2* G 14 -12.105 4.836 -7.384
147 2HO* G 14 2HO* G 14 -13.747 4.623 -8.970
148 H1* G 14 H1* G 14 -13.916 6.464 -6.105
149 H8 G 14 H8 G 14 -12.617 5.137 -3.187
150 H1 G 14 H1 G 14 -7.747 7.714 -6.384
151 1H2 G 14 1H2 G 14 -9.893 7.555 -9.129
152 2H2 G 14 2H2 G 14 -8.317 7.995 -8.513
153 1H5* G 15 1H5* G 15 -13.296 2.920 -10.433
154 2H5* G 15 2H5* G 15 -12.822 1.366 -11.169
155 H4* G 15 H4* G 15 -11.797 3.196 -12.400
156 H3* G 15 H3* G 15 -9.933 1.708 -10.526
157 H2* G 15 1H2* G 15 -8.132 3.022 -11.279
158 2HO* G 15 2HO* G 15 -9.752 4.279 -13.242
159 H1* G 15 H1* G 15 -9.470 5.417 -11.304
160 H8 G 15 H8 G 15 -10.623 3.647 -8.241
161 H1 G 15 H1 G 15 -4.671 5.827 -7.588
162 1H2 G 15 1H2 G 15 -4.815 6.351 -11.031
163 2H2 G 15 2H2 G 15 -3.876 6.463 -9.560
164 1H5* G 16 1H5* G 16 -7.636 2.336 -13.646
165 2H5* G 16 2H5* G 16 -7.310 0.793 -14.479
166 H4* G 16 H4* G 16 -5.231 1.966 -14.366
167 H3* G 16 H3* G 16 -5.500 -0.032 -12.093
168 H2* G 16 1H2* G 16 -3.307 0.488 -11.428
169 2HO* G 16 2HO* G 16 -2.238 0.487 -13.396
170 H1* G 16 H1* G 16 -3.493 3.212 -11.859
171 H8 G 16 H8 G 16 -6.644 2.340 -10.157
172 H1 G 16 H1 G 16 -1.708 1.919 -6.148
173 1H2 G 16 1H2 G 16 0.247 2.078 -9.032
174 2H2 G 16 2H2 G 16 0.197 1.946 -7.289
175 1H5* A 17 1H5* A 17 -2.173 -1.305 -14.260
176 2H5* A 17 2H5* A 17 -1.823 -3.045 -14.222
177 H4* A 17 H4* A 17 -0.042 -1.684 -13.127
178 H3* A 17 H3* A 17 -1.701 -3.605 -11.462
179 H2* A 17 1H2* A 17 -0.360 -3.123 -9.599
180 2HO* A 17 2HO* A 17 1.638 -2.107 -9.761
181 H1* A 17 H1* A 17 -0.108 -0.411 -10.069
182 H8 A 17 H8 A 17 -3.684 -1.362 -10.639
183 1H6 A 17 1H6 A 17 -4.490 -1.233 -4.537
184 2H6 A 17 2H6 A 17 -5.293 -1.316 -6.089
185 H2 A 17 H2 A 17 -0.080 -1.012 -5.363
186 1H5* U 18 1H5* U 18 2.275 -4.419 -10.806
187 2H5* U 18 2H5* U 18 2.708 -6.141 -10.832
188 H4* U 18 H4* U 18 3.536 -5.187 -8.766
189 H3* U 18 H3* U 18 1.056 -6.914 -8.511
190 H2* U 18 1H2* U 18 1.102 -6.651 -6.182
191 2HO* U 18 2HO* U 18 3.774 -5.749 -6.592
192 H1* U 18 H1* U 18 1.803 -3.984 -6.156
193 H3 U 18 H3 U 18 -2.434 -3.943 -4.586
194 H5 U 18 H5 U 18 -2.890 -4.966 -8.648
195 H6 U 18 H6 U 18 -0.475 -5.087 -8.822
196 1H5* C 19 1H5* C 19 3.832 -8.600 -5.826
197 2H5* C 19 2H5* C 19 3.821 -10.374 -5.864
198 H4* C 19 H4* C 19 3.402 -9.607 -3.583
199 H3* C 19 H3* C 19 1.030 -10.773 -5.075
200 H2* C 19 1H2* C 19 -0.267 -10.579 -3.127
201 2HO* C 19 2HO* C 19 2.037 -9.838 -1.627
202 H1* C 19 H1* C 19 0.698 -8.116 -2.342
203 1H4 C 19 1H4 C 19 -4.030 -7.237 -6.910
204 2H4 C 19 2H4 C 19 -4.807 -7.015 -5.358
205 H5 C 19 H5 C 19 -1.733 -7.915 -7.149
206 H6 C 19 H6 C 19 0.313 -8.538 -5.955
207 1H5* U 20 1H5* U 20 1.125 -12.821 -1.496
208 2H5* U 20 2H5* U 20 0.542 -14.492 -1.635
209 H4* U 20 H4* U 20 -0.879 -13.102 -0.125
210 H3* U 20 H3* U 20 -2.042 -14.171 -2.718
211 H2* U 20 1H2* U 20 -4.137 -13.306 -2.117
212 2HO* U 20 2HO* U 20 -4.760 -13.158 -0.096
213 H1* U 20 H1* U 20 -3.217 -10.935 -1.032
214 H3 U 20 H3 U 20 -5.567 -9.733 -4.717
215 H5 U 20 H5 U 20 -2.032 -11.418 -6.269
216 H6 U 20 H6 U 20 -1.428 -12.072 -4.014
217 1H5* C 21 1H5* C 21 -4.763 -15.138 0.559
218 2H5* C 21 2H5* C 21 -5.203 -16.849 0.384
219 H4* C 21 H4* C 21 -7.237 -15.563 0.694
220 H3* C 21 H3* C 21 -6.726 -16.544 -2.134
221 H2* C 21 1H2* C 21 -8.799 -15.669 -2.803
222 2HO* C 21 2HO* C 21 -10.355 -16.034 -1.408
223 H1* C 21 H1* C 21 -8.678 -13.344 -1.305
224 1H4 C 21 1H4 C 21 -5.397 -12.494 -7.011
225 2H4 C 21 2H4 C 21 -6.927 -11.663 -7.189
226 H5 C 21 H5 C 21 -4.815 -13.784 -5.063
227 H6 C 21 H6 C 21 -5.576 -14.568 -2.871
228 H3T C 21 H3T C 21 -8.270 -18.078 -1.452
Start of MODEL 2
1 1H5* G 1 1H5* G 1 -13.946 -6.823 -10.514
2 2H5* G 1 2H5* G 1 -14.814 -5.681 -9.455
3 H4* G 1 H4* G 1 -15.615 -7.730 -8.689
4 H3* G 1 H3* G 1 -13.021 -7.174 -7.215
5 H2* G 1 1H2* G 1 -13.240 -9.207 -6.055
6 2HO* G 1 2HO* G 1 -15.914 -9.273 -7.069
7 H1* G 1 H1* G 1 -14.074 -10.717 -8.196
8 H8 G 1 H8 G 1 -11.484 -8.932 -9.913
9 H1 G 1 H1 G 1 -8.847 -12.320 -5.202
10 1H2 G 1 1H2 G 1 -12.105 -12.599 -3.992
11 2H2 G 1 2H2 G 1 -10.413 -12.989 -3.778
12 H5T G 1 H5T G 1 -12.930 -5.005 -8.907
13 1H5* G 2 1H5* G 2 -15.353 -8.479 -4.001
14 2H5* G 2 2H5* G 2 -15.563 -7.059 -2.942
15 H4* G 2 H4* G 2 -14.954 -8.946 -1.567
16 H3* G 2 H3* G 2 -12.634 -7.083 -2.169
17 H2* G 2 1H2* G 2 -11.252 -8.377 -0.762
18 2HO* G 2 2HO* G 2 -13.520 -9.920 0.023
19 H1* G 2 H1* G 2 -12.112 -10.819 -1.657
20 H8 G 2 H8 G 2 -11.939 -8.543 -4.628
21 H1 G 2 H1 G 2 -6.162 -10.475 -2.758
22 1H2 G 2 1H2 G 2 -7.809 -11.637 0.085
23 2H2 G 2 2H2 G 2 -6.295 -11.457 -0.774
24 1H5* G 3 1H5* G 3 -12.556 -7.355 1.932
25 2H5* G 3 2H5* G 3 -12.284 -5.789 2.742
26 H4* G 3 H4* G 3 -10.593 -7.482 3.371
27 H3* G 3 H3* G 3 -9.655 -5.208 1.584
28 H2* G 3 1H2* G 3 -7.453 -6.005 1.819
29 2HO* G 3 2HO* G 3 -7.507 -6.414 4.075
30 H1* G 3 H1* G 3 -8.088 -8.685 1.613
31 H8 G 3 H8 G 3 -10.047 -6.788 -0.963
32 H1 G 3 H1 G 3 -3.934 -7.483 -2.621
33 1H2 G 3 1H2 G 3 -3.486 -8.554 0.667
34 2H2 G 3 2H2 G 3 -2.759 -8.228 -0.890
35 1H5* A 4 1H5* A 4 -7.099 -4.660 5.200
36 2H5* A 4 2H5* A 4 -6.466 -3.004 5.106
37 H4* A 4 H4* A 4 -4.806 -5.003 4.828
38 H3* A 4 H3* A 4 -5.012 -2.590 2.996
39 H2* A 4 1H2* A 4 -3.183 -3.388 1.761
40 2HO* A 4 2HO* A 4 -2.186 -4.122 3.964
41 H1* A 4 H1* A 4 -3.885 -6.060 1.821
42 H8 A 4 H8 A 4 -6.988 -4.126 1.080
43 1H6 A 4 1H6 A 4 -5.062 -3.565 -4.739
44 2H6 A 4 2H6 A 4 -6.414 -3.355 -3.649
45 H2 A 4 H2 A 4 -1.646 -5.151 -2.289
46 1H5* U 5 1H5* U 5 -0.764 -2.827 4.272
47 2H5* U 5 2H5* U 5 -0.172 -1.161 4.446
48 H4* U 5 H4* U 5 1.207 -2.564 2.878
49 H3* U 5 H3* U 5 -0.262 -0.099 1.892
50 H2* U 5 1H2* U 5 0.680 -0.382 -0.237
51 2HO* U 5 2HO* U 5 2.465 -2.241 0.999
52 H1* U 5 H1* U 5 0.481 -3.134 -0.337
53 H3 U 5 H3 U 5 -2.346 -1.533 -3.520
54 H5 U 5 H5 U 5 -4.390 -0.910 0.111
55 H6 U 5 H6 U 5 -2.375 -1.574 1.286
56 1H5* C 6 1H5* C 6 3.880 0.069 0.308
57 2H5* C 6 2H5* C 6 4.453 1.677 0.800
58 H4* C 6 H4* C 6 4.963 1.381 -1.552
59 H3* C 6 H3* C 6 2.626 3.211 -0.927
60 H2* C 6 1H2* C 6 2.369 3.687 -3.212
61 2HO* C 6 2HO* C 6 3.958 3.250 -4.735
62 H1* C 6 H1* C 6 2.840 1.131 -4.146
63 1H4 C 6 1H4 C 6 -3.476 1.593 -2.164
64 2H4 C 6 2H4 C 6 -3.501 1.606 -3.913
65 H5 C 6 H5 C 6 -1.445 1.567 -0.873
66 H6 C 6 H6 C 6 1.002 1.554 -0.976
67 1H5* A 7 1H5* A 7 5.639 5.030 -3.259
68 2H5* A 7 2H5* A 7 5.961 6.759 -3.024
69 H4* A 7 H4* A 7 5.436 6.018 -5.419
70 H3* A 7 H3* A 7 4.927 8.393 -4.185
71 H2* A 7 1H2* A 7 2.771 7.967 -3.419
72 2HO* A 7 2HO* A 7 1.400 9.111 -4.703
73 H1* A 7 H1* A 7 1.927 6.576 -5.943
74 H8 A 7 H8 A 7 2.092 6.439 -2.079
75 1H6 A 7 1H6 A 7 -3.527 3.943 -2.378
76 2H6 A 7 2H6 A 7 -2.278 4.541 -1.309
77 H2 A 7 H2 A 7 -2.004 4.473 -6.575
78 1H5* C 8 1H5* C 8 2.605 11.441 -7.691
79 2H5* C 8 2H5* C 8 2.380 9.915 -6.811
80 H4* C 8 H4* C 8 2.603 9.791 -9.802
81 H3* C 8 H3* C 8 0.232 10.870 -8.235
82 H2* C 8 1H2* C 8 -1.203 9.797 -9.767
83 2HO* C 8 2HO* C 8 -0.358 10.171 -11.748
84 H1* C 8 H1* C 8 0.237 7.455 -9.928
85 1H4 C 8 1H4 C 8 -3.403 7.158 -4.412
86 2H4 C 8 2H4 C 8 -4.500 6.691 -5.693
87 H5 C 8 H5 C 8 -1.174 7.971 -4.819
88 H6 C 8 H6 C 8 0.491 8.509 -6.534
89 1H5* C 9 1H5* C 9 -0.792 12.155 -12.321
90 2H5* C 9 2H5* C 9 -1.884 13.543 -12.143
91 H4* C 9 H4* C 9 -2.858 11.386 -13.185
92 H3* C 9 H3* C 9 -4.070 12.862 -10.824
93 H2* C 9 1H2* C 9 -5.869 11.358 -10.825
94 2HO* C 9 2HO* C 9 -4.962 10.653 -13.434
95 H1* C 9 H1* C 9 -4.406 9.077 -11.377
96 1H4 C 9 1H4 C 9 -4.082 10.136 -4.855
97 2H4 C 9 2H4 C 9 -5.535 9.192 -5.094
98 H5 C 9 H5 C 9 -2.758 11.004 -6.672
99 H6 C 9 H6 C 9 -2.538 11.148 -9.106
100 1H5* A 10 1H5* A 10 -7.534 12.399 -13.012
101 2H5* A 10 2H5* A 10 -8.639 13.701 -12.524
102 H4* A 10 H4* A 10 -9.197 11.318 -11.699
103 H3* A 10 H3* A 10 -8.926 13.754 -9.909
104 H2* A 10 1H2* A 10 -9.520 12.458 -8.037
105 2HO* A 10 2HO* A 10 -10.174 10.305 -9.801
106 H1* A 10 H1* A 10 -8.042 10.236 -8.692
107 H8 A 10 H8 A 10 -6.008 13.285 -9.513
108 1H6 A 10 1H6 A 10 -4.524 13.639 -3.548
109 2H6 A 10 2H6 A 10 -4.183 14.253 -5.150
110 H2 A 10 H2 A 10 -7.792 10.584 -3.997
111 1H5* U 11 1H5* U 11 -12.046 11.937 -8.517
112 2H5* U 11 2H5* U 11 -13.566 12.830 -8.727
113 H4* U 11 H4* U 11 -13.383 11.882 -6.450
114 H3* U 11 H3* U 11 -14.224 14.406 -7.027
115 H2* U 11 1H2* U 11 -12.170 15.520 -6.764
116 2HO* U 11 2HO* U 11 -13.552 16.515 -5.270
117 H1* U 11 H1* U 11 -11.477 13.978 -4.272
118 H3 U 11 H3 U 11 -7.333 15.670 -4.221
119 H5 U 11 H5 U 11 -8.158 15.429 -8.346
120 H6 U 11 H6 U 11 -10.349 14.551 -7.790
121 1H5* U 12 1H5* U 12 -17.149 12.824 -3.028
122 2H5* U 12 2H5* U 12 -16.855 13.725 -1.532
123 H4* U 12 H4* U 12 -15.584 11.332 -2.474
124 H3* U 12 H3* U 12 -16.289 12.424 -0.083
125 H2* U 12 1H2* U 12 -14.705 14.101 0.047
126 2HO* U 12 2HO* U 12 -13.298 11.802 0.998
127 H1* U 12 H1* U 12 -12.470 12.420 -1.057
128 H3 U 12 H3 U 12 -9.948 16.124 -1.029
129 H5 U 12 H5 U 12 -13.614 17.513 -2.572
130 H6 U 12 H6 U 12 -14.520 15.287 -2.250
131 1H5* A 13 1H5* A 13 -17.201 9.968 -1.773
132 2H5* A 13 2H5* A 13 -18.178 8.523 -1.447
133 H4* A 13 H4* A 13 -17.263 7.957 -3.504
134 H3* A 13 H3* A 13 -16.195 6.607 -1.328
135 H2* A 13 1H2* A 13 -14.113 7.611 -1.265
136 2HO* A 13 2HO* A 13 -13.767 5.422 -1.992
137 H1* A 13 H1* A 13 -13.954 7.977 -4.251
138 H8 A 13 H8 A 13 -13.741 9.769 -0.840
139 1H6 A 13 1H6 A 13 -8.747 12.573 -3.072
140 2H6 A 13 2H6 A 13 -9.748 12.343 -1.656
141 H2 A 13 H2 A 13 -10.531 10.074 -6.340
142 1H5* G 14 1H5* G 14 -14.237 2.706 -4.874
143 2H5* G 14 2H5* G 14 -13.983 4.005 -3.679
144 H4* G 14 H4* G 14 -15.450 4.695 -6.206
145 H3* G 14 H3* G 14 -12.555 3.801 -6.091
146 H2* G 14 1H2* G 14 -11.950 5.510 -7.559
147 2HO* G 14 2HO* G 14 -13.665 6.792 -8.611
148 H1* G 14 H1* G 14 -13.571 7.478 -6.516
149 H8 G 14 H8 G 14 -12.329 6.389 -3.451
150 H1 G 14 H1 G 14 -7.342 8.172 -6.995
151 1H2 G 14 1H2 G 14 -9.571 7.925 -9.667
152 2H2 G 14 2H2 G 14 -7.946 8.286 -9.131
153 1H5* G 15 1H5* G 15 -13.461 2.855 -10.318
154 2H5* G 15 2H5* G 15 -12.645 1.331 -10.757
155 H4* G 15 H4* G 15 -11.933 3.383 -12.065
156 H3* G 15 H3* G 15 -9.967 1.861 -10.328
157 H2* G 15 1H2* G 15 -8.234 3.262 -11.051
158 2HO* G 15 2HO* G 15 -10.021 4.273 -13.041
159 H1* G 15 H1* G 15 -9.665 5.619 -11.017
160 H8 G 15 H8 G 15 -10.610 3.919 -7.878
161 H1 G 15 H1 G 15 -4.584 5.987 -7.647
162 1H2 G 15 1H2 G 15 -4.932 6.416 -11.091
163 2H2 G 15 2H2 G 15 -3.900 6.549 -9.683
164 1H5* G 16 1H5* G 16 -7.720 2.767 -13.477
165 2H5* G 16 2H5* G 16 -7.369 1.262 -14.366
166 H4* G 16 H4* G 16 -5.318 2.493 -14.217
167 H3* G 16 H3* G 16 -5.510 0.375 -12.044
168 H2* G 16 1H2* G 16 -3.297 0.899 -11.426
169 2HO* G 16 2HO* G 16 -2.624 1.100 -13.735
170 H1* G 16 H1* G 16 -3.578 3.634 -11.661
171 H8 G 16 H8 G 16 -6.680 2.505 -9.993
172 H1 G 16 H1 G 16 -1.679 2.082 -6.064
173 1H2 G 16 1H2 G 16 0.232 2.553 -8.942
174 2H2 G 16 2H2 G 16 0.208 2.295 -7.212
175 1H5* A 17 1H5* A 17 -2.185 -0.811 -14.284
176 2H5* A 17 2H5* A 17 -1.776 -2.534 -14.165
177 H4* A 17 H4* A 17 -0.111 -0.971 -13.071
178 H3* A 17 H3* A 17 -1.585 -3.093 -11.474
179 H2* A 17 1H2* A 17 -0.286 -2.535 -9.597
180 2HO* A 17 2HO* A 17 1.577 -1.238 -9.756
181 H1* A 17 H1* A 17 -0.315 0.201 -9.995
182 H8 A 17 H8 A 17 -3.800 -0.936 -10.581
183 1H6 A 17 1H6 A 17 -4.543 -1.391 -4.486
184 2H6 A 17 2H6 A 17 -5.358 -1.385 -6.034
185 H2 A 17 H2 A 17 -0.161 -0.850 -5.319
186 1H5* U 18 1H5* U 18 2.371 -3.640 -10.722
187 2H5* U 18 2H5* U 18 2.921 -5.328 -10.716
188 H4* U 18 H4* U 18 3.486 -4.273 -8.583
189 H3* U 18 H3* U 18 1.236 -6.310 -8.555
190 H2* U 18 1H2* U 18 1.073 -6.098 -6.227
191 2HO* U 18 2HO* U 18 3.429 -4.503 -6.163
192 H1* U 18 H1* U 18 1.445 -3.363 -6.109
193 H3 U 18 H3 U 18 -2.827 -4.092 -4.752
194 H5 U 18 H5 U 18 -2.959 -4.641 -8.928
195 H6 U 18 H6 U 18 -0.541 -4.462 -8.964
196 1H5* C 19 1H5* C 19 4.302 -7.736 -5.596
197 2H5* C 19 2H5* C 19 4.345 -9.506 -5.721
198 H4* C 19 H4* C 19 3.981 -8.769 -3.384
199 H3* C 19 H3* C 19 1.729 -10.199 -4.831
200 H2* C 19 1H2* C 19 0.449 -10.167 -2.864
201 2HO* C 19 2HO* C 19 1.492 -9.360 -0.861
202 H1* C 19 H1* C 19 1.114 -7.612 -2.077
203 1H4 C 19 1H4 C 19 -3.693 -7.269 -6.633
204 2H4 C 19 2H4 C 19 -4.489 -7.160 -5.080
205 H5 C 19 H5 C 19 -1.331 -7.664 -6.880
206 H6 C 19 H6 C 19 0.777 -8.045 -5.692
207 1H5* U 20 1H5* U 20 2.042 -12.156 -1.251
208 2H5* U 20 2H5* U 20 1.698 -13.893 -1.368
209 H4* U 20 H4* U 20 0.086 -12.716 0.119
210 H3* U 20 H3* U 20 -0.901 -13.920 -2.487
211 H2* U 20 1H2* U 20 -3.100 -13.337 -1.920
212 2HO* U 20 2HO* U 20 -3.702 -13.497 0.092
213 H1* U 20 H1* U 20 -2.515 -10.870 -0.821
214 H3 U 20 H3 U 20 -4.929 -9.970 -4.553
215 H5 U 20 H5 U 20 -1.180 -11.195 -6.036
216 H6 U 20 H6 U 20 -0.539 -11.766 -3.769
217 1H5* C 21 1H5* C 21 -3.515 -15.405 0.789
218 2H5* C 21 2H5* C 21 -3.733 -17.141 0.483
219 H4* C 21 H4* C 21 -5.913 -16.079 0.841
220 H3* C 21 H3* C 21 -5.254 -16.971 -1.985
221 H2* C 21 1H2* C 21 -7.399 -16.331 -2.687
222 2HO* C 21 2HO* C 21 -8.780 -17.094 -1.186
223 H1* C 21 H1* C 21 -7.570 -14.016 -1.183
224 1H4 C 21 1H4 C 21 -4.267 -12.789 -6.807
225 2H4 C 21 2H4 C 21 -5.873 -12.133 -7.022
226 H5 C 21 H5 C 21 -3.592 -14.012 -4.846
227 H6 C 21 H6 C 21 -4.313 -14.879 -2.672
228 H3T C 21 H3T C 21 -6.811 -18.600 -1.292
Start of MODEL 3
1 1H5* G 1 1H5* G 1 -14.761 -3.222 -8.670
2 2H5* G 1 2H5* G 1 -13.758 -4.497 -9.410
3 H4* G 1 H4* G 1 -16.493 -4.945 -8.133
4 H3* G 1 H3* G 1 -13.698 -4.978 -6.960
5 H2* G 1 1H2* G 1 -14.273 -6.824 -5.625
6 2HO* G 1 2HO* G 1 -16.995 -6.570 -6.434
7 H1* G 1 H1* G 1 -15.706 -8.186 -7.539
8 H8 G 1 H8 G 1 -12.912 -7.168 -9.584
9 H1 G 1 H1 G 1 -10.831 -11.067 -4.991
10 1H2 G 1 1H2 G 1 -13.926 -10.471 -3.503
11 2H2 G 1 2H2 G 1 -12.382 -11.287 -3.418
12 H5T G 1 H5T G 1 -14.966 -4.435 -11.101
13 1H5* G 2 1H5* G 2 -15.702 -6.075 -3.767
14 2H5* G 2 2H5* G 2 -15.840 -4.634 -2.726
15 H4* G 2 H4* G 2 -15.318 -6.368 -1.222
16 H3* G 2 H3* G 2 -12.716 -5.146 -2.209
17 H2* G 2 1H2* G 2 -11.560 -6.546 -0.689
18 2HO* G 2 2HO* G 2 -12.471 -7.255 1.091
19 H1* G 2 H1* G 2 -12.962 -8.801 -1.324
20 H8 G 2 H8 G 2 -12.532 -6.851 -4.495
21 H1 G 2 H1 G 2 -7.147 -9.767 -2.735
22 1H2 G 2 1H2 G 2 -8.798 -10.341 0.278
23 2H2 G 2 2H2 G 2 -7.340 -10.539 -0.667
24 1H5* G 3 1H5* G 3 -12.560 -5.111 1.881
25 2H5* G 3 2H5* G 3 -11.904 -3.627 2.622
26 H4* G 3 H4* G 3 -10.751 -5.666 3.420
27 H3* G 3 H3* G 3 -9.207 -3.806 1.585
28 H2* G 3 1H2* G 3 -7.292 -5.137 1.863
29 2HO* G 3 2HO* G 3 -7.008 -5.789 3.864
30 H1* G 3 H1* G 3 -8.575 -7.574 1.742
31 H8 G 3 H8 G 3 -10.007 -5.278 -0.872
32 H1 G 3 H1 G 3 -4.366 -7.693 -2.581
33 1H2 G 3 1H2 G 3 -4.165 -8.764 0.729
34 2H2 G 3 2H2 G 3 -3.409 -8.693 -0.846
35 1H5* A 4 1H5* A 4 -6.723 -3.839 5.124
36 2H5* A 4 2H5* A 4 -5.784 -2.334 5.193
37 H4* A 4 H4* A 4 -4.420 -4.459 4.854
38 H3* A 4 H3* A 4 -4.361 -2.154 2.879
39 H2* A 4 1H2* A 4 -2.689 -3.262 1.660
40 2HO* A 4 2HO* A 4 -1.254 -4.010 3.112
41 H1* A 4 H1* A 4 -3.750 -5.803 1.895
42 H8 A 4 H8 A 4 -6.513 -3.373 1.132
43 1H6 A 4 1H6 A 4 -4.828 -3.628 -4.783
44 2H6 A 4 2H6 A 4 -6.053 -3.076 -3.663
45 H2 A 4 H2 A 4 -1.668 -5.691 -2.347
46 1H5* U 5 1H5* U 5 -0.114 -2.560 4.258
47 2H5* U 5 2H5* U 5 0.606 -0.939 4.207
48 H4* U 5 H4* U 5 1.823 -2.631 2.800
49 H3* U 5 H3* U 5 0.508 -0.213 1.515
50 H2* U 5 1H2* U 5 1.440 -0.842 -0.549
51 2HO* U 5 2HO* U 5 3.039 -2.499 -0.683
52 H1* U 5 H1* U 5 1.009 -3.555 -0.277
53 H3 U 5 H3 U 5 -1.670 -2.138 -3.673
54 H5 U 5 H5 U 5 -3.627 -0.825 -0.179
55 H6 U 5 H6 U 5 -1.689 -1.534 1.095
56 1H5* C 6 1H5* C 6 4.113 -0.536 -0.524
57 2H5* C 6 2H5* C 6 5.065 0.832 0.086
58 H4* C 6 H4* C 6 5.487 0.953 -2.206
59 H3* C 6 H3* C 6 3.041 2.636 -1.576
60 H2* C 6 1H2* C 6 2.930 3.272 -3.842
61 2HO* C 6 2HO* C 6 4.653 2.645 -5.309
62 H1* C 6 H1* C 6 3.447 0.785 -4.886
63 1H4 C 6 1H4 C 6 -2.918 1.013 -3.036
64 2H4 C 6 2H4 C 6 -2.900 1.361 -4.750
65 H5 C 6 H5 C 6 -0.918 0.742 -1.723
66 H6 C 6 H6 C 6 1.529 0.729 -1.773
67 1H5* A 7 1H5* A 7 6.301 5.530 -2.470
68 2H5* A 7 2H5* A 7 5.958 7.215 -2.030
69 H4* A 7 H4* A 7 5.822 6.746 -4.507
70 H3* A 7 H3* A 7 3.420 7.730 -2.938
71 H2* A 7 1H2* A 7 2.156 7.834 -4.911
72 2HO* A 7 2HO* A 7 3.908 8.822 -6.155
73 H1* A 7 H1* A 7 3.110 5.506 -6.052
74 H8 A 7 H8 A 7 2.305 5.436 -2.298
75 1H6 A 7 1H6 A 7 -3.364 3.674 -3.932
76 2H6 A 7 2H6 A 7 -2.278 3.943 -2.588
77 H2 A 7 H2 A 7 -1.092 4.701 -7.669
78 1H5* C 8 1H5* C 8 2.801 12.363 -5.035
79 2H5* C 8 2H5* C 8 1.277 11.776 -4.342
80 H4* C 8 H4* C 8 2.128 11.951 -7.165
81 H3* C 8 H3* C 8 -0.462 11.794 -5.593
82 H2* C 8 1H2* C 8 -1.611 11.186 -7.555
83 2HO* C 8 2HO* C 8 -1.000 12.181 -9.316
84 H1* C 8 H1* C 8 0.279 9.440 -8.516
85 1H4 C 8 1H4 C 8 -3.120 6.239 -3.831
86 2H4 C 8 2H4 C 8 -4.168 6.191 -5.231
87 H5 C 8 H5 C 8 -1.056 7.467 -3.772
88 H6 C 8 H6 C 8 0.426 8.966 -5.018
89 1H5* C 9 1H5* C 9 -2.738 14.815 -8.912
90 2H5* C 9 2H5* C 9 -3.842 14.960 -7.530
91 H4* C 9 H4* C 9 -4.337 13.559 -9.900
92 H3* C 9 H3* C 9 -5.561 13.517 -7.125
93 H2* C 9 1H2* C 9 -6.953 11.737 -7.761
94 2HO* C 9 2HO* C 9 -6.967 12.898 -10.095
95 H1* C 9 H1* C 9 -5.078 10.343 -9.222
96 1H4 C 9 1H4 C 9 -4.119 8.878 -2.840
97 2H4 C 9 2H4 C 9 -5.427 7.829 -3.340
98 H5 C 9 H5 C 9 -3.198 10.601 -4.243
99 H6 C 9 H6 C 9 -3.327 11.693 -6.432
100 1H5* A 10 1H5* A 10 -9.196 13.317 -8.938
101 2H5* A 10 2H5* A 10 -10.353 14.004 -7.779
102 H4* A 10 H4* A 10 -10.271 11.412 -8.052
103 H3* A 10 H3* A 10 -10.171 12.936 -5.428
104 H2* A 10 1H2* A 10 -10.136 10.899 -4.244
105 2HO* A 10 2HO* A 10 -10.868 9.029 -5.057
106 H1* A 10 H1* A 10 -8.377 9.588 -5.896
107 H8 A 10 H8 A 10 -7.127 13.093 -5.579
108 1H6 A 10 1H6 A 10 -4.778 11.582 -0.092
109 2H6 A 10 2H6 A 10 -4.823 12.799 -1.348
110 H2 A 10 H2 A 10 -7.463 8.235 -1.429
111 1H5* U 11 1H5* U 11 -12.557 9.811 -4.633
112 2H5* U 11 2H5* U 11 -14.220 10.376 -4.373
113 H4* U 11 H4* U 11 -13.531 8.674 -2.692
114 H3* U 11 H3* U 11 -14.948 10.938 -2.176
115 H2* U 11 1H2* U 11 -13.149 12.341 -1.589
116 2HO* U 11 2HO* U 11 -12.976 12.207 0.813
117 H1* U 11 H1* U 11 -11.825 10.195 0.056
118 H3 U 11 H3 U 11 -8.152 12.699 0.600
119 H5 U 11 H5 U 11 -9.437 13.802 -3.258
120 H6 U 11 H6 U 11 -11.310 12.285 -2.998
121 1H5* U 12 1H5* U 12 -16.974 7.275 1.055
122 2H5* U 12 2H5* U 12 -16.625 7.702 2.739
123 H4* U 12 H4* U 12 -15.029 6.192 0.862
124 H3* U 12 H3* U 12 -15.600 6.115 3.521
125 H2* U 12 1H2* U 12 -14.440 7.987 4.216
126 2HO* U 12 2HO* U 12 -13.354 6.579 5.458
127 H1* U 12 H1* U 12 -12.067 7.497 2.439
128 H3 U 12 H3 U 12 -10.507 11.510 3.670
129 H5 U 12 H5 U 12 -14.624 12.246 3.152
130 H6 U 12 H6 U 12 -14.914 9.893 2.641
131 1H5* A 13 1H5* A 13 -17.213 3.341 -0.033
132 2H5* A 13 2H5* A 13 -16.216 2.100 0.750
133 H4* A 13 H4* A 13 -15.688 3.205 -1.713
134 H3* A 13 H3* A 13 -14.339 1.509 0.197
135 H2* A 13 1H2* A 13 -12.515 2.848 0.531
136 2HO* A 13 2HO* A 13 -12.238 1.918 -2.124
137 H1* A 13 H1* A 13 -12.958 4.368 -2.040
138 H8 A 13 H8 A 13 -12.586 4.800 1.791
139 1H6 A 13 1H6 A 13 -8.532 9.229 0.456
140 2H6 A 13 2H6 A 13 -9.268 8.302 1.745
141 H2 A 13 H2 A 13 -10.258 7.692 -3.390
142 1H5* G 14 1H5* G 14 -12.163 -0.353 -5.015
143 2H5* G 14 2H5* G 14 -11.647 0.374 -3.471
144 H4* G 14 H4* G 14 -13.927 1.600 -5.044
145 H3* G 14 H3* G 14 -10.982 1.636 -5.772
146 H2* G 14 1H2* G 14 -11.120 3.898 -6.322
147 2HO* G 14 2HO* G 14 -13.124 4.970 -6.609
148 H1* G 14 H1* G 14 -12.789 4.681 -4.278
149 H8 G 14 H8 G 14 -10.613 2.864 -2.259
150 H1 G 14 H1 G 14 -7.153 7.301 -5.243
151 1H2 G 14 1H2 G 14 -9.877 7.502 -7.411
152 2H2 G 14 2H2 G 14 -8.278 8.076 -6.993
153 1H5* G 15 1H5* G 15 -12.923 4.006 -10.084
154 2H5* G 15 2H5* G 15 -12.458 2.423 -10.763
155 H4* G 15 H4* G 15 -11.474 4.388 -11.970
156 H3* G 15 H3* G 15 -9.654 2.497 -10.447
157 H2* G 15 1H2* G 15 -7.776 3.671 -11.252
158 2HO* G 15 2HO* G 15 -8.093 4.139 -13.340
159 H1* G 15 H1* G 15 -8.798 6.184 -10.863
160 H8 G 15 H8 G 15 -9.734 3.690 -8.127
161 H1 G 15 H1 G 15 -4.003 6.347 -7.288
162 1H2 G 15 1H2 G 15 -4.516 7.707 -10.458
163 2H2 G 15 2H2 G 15 -3.463 7.562 -9.069
164 1H5* G 16 1H5* G 16 -7.593 1.369 -14.540
165 2H5* G 16 2H5* G 16 -7.270 -0.308 -14.028
166 H4* G 16 H4* G 16 -5.310 1.398 -14.582
167 H3* G 16 H3* G 16 -5.475 -0.484 -12.205
168 H2* G 16 1H2* G 16 -3.320 0.200 -11.563
169 2HO* G 16 2HO* G 16 -1.919 1.270 -12.934
170 H1* G 16 H1* G 16 -3.650 2.880 -12.153
171 H8 G 16 H8 G 16 -6.756 1.935 -10.408
172 H1 G 16 H1 G 16 -1.827 2.076 -6.367
173 1H2 G 16 1H2 G 16 0.136 2.143 -9.247
174 2H2 G 16 2H2 G 16 0.080 2.127 -7.498
175 1H5* A 17 1H5* A 17 -1.883 -1.474 -14.212
176 2H5* A 17 2H5* A 17 -1.598 -3.224 -14.298
177 H4* A 17 H4* A 17 0.311 -2.080 -13.241
178 H3* A 17 H3* A 17 -1.432 -3.862 -11.516
179 H2* A 17 1H2* A 17 -0.007 -3.498 -9.685
180 2HO* A 17 2HO* A 17 1.993 -2.114 -10.224
181 H1* A 17 H1* A 17 0.411 -0.809 -10.116
182 H8 A 17 H8 A 17 -3.213 -1.584 -10.736
183 1H6 A 17 1H6 A 17 -4.089 -1.376 -4.650
184 2H6 A 17 2H6 A 17 -4.874 -1.441 -6.212
185 H2 A 17 H2 A 17 0.338 -1.332 -5.420
186 1H5* U 18 1H5* U 18 2.420 -5.116 -10.853
187 2H5* U 18 2H5* U 18 2.612 -6.879 -10.777
188 H4* U 18 H4* U 18 3.428 -5.858 -8.702
189 H3* U 18 H3* U 18 0.833 -7.426 -8.553
190 H2* U 18 1H2* U 18 0.774 -7.102 -6.232
191 2HO* U 18 2HO* U 18 2.710 -6.023 -5.234
192 H1* U 18 H1* U 18 1.660 -4.484 -6.238
193 H3 U 18 H3 U 18 -2.633 -4.246 -4.800
194 H5 U 18 H5 U 18 -2.983 -5.101 -8.910
195 H6 U 18 H6 U 18 -0.576 -5.386 -8.990
196 1H5* C 19 1H5* C 19 3.420 -9.333 -5.690
197 2H5* C 19 2H5* C 19 3.313 -11.098 -5.842
198 H4* C 19 H4* C 19 2.876 -10.491 -3.530
199 H3* C 19 H3* C 19 0.458 -11.328 -5.161
200 H2* C 19 1H2* C 19 -0.889 -11.150 -3.247
201 2HO* C 19 2HO* C 19 -0.084 -11.729 -1.389
202 H1* C 19 H1* C 19 0.248 -8.843 -2.256
203 1H4 C 19 1H4 C 19 -4.173 -7.261 -6.945
204 2H4 C 19 2H4 C 19 -4.978 -7.021 -5.411
205 H5 C 19 H5 C 19 -1.948 -8.162 -7.140
206 H6 C 19 H6 C 19 -0.022 -9.043 -5.908
207 1H5* U 20 1H5* U 20 0.358 -13.836 -1.683
208 2H5* U 20 2H5* U 20 -0.551 -15.323 -2.019
209 H4* U 20 H4* U 20 -1.597 -13.766 -0.293
210 H3* U 20 H3* U 20 -3.040 -14.606 -2.828
211 H2* U 20 1H2* U 20 -4.953 -13.451 -2.116
212 2HO* U 20 2HO* U 20 -5.435 -13.148 -0.057
213 H1* U 20 H1* U 20 -3.652 -11.260 -1.043
214 H3 U 20 H3 U 20 -5.964 -9.633 -4.590
215 H5 U 20 H5 U 20 -2.791 -11.782 -6.342
216 H6 U 20 H6 U 20 -2.190 -12.574 -4.129
217 1H5* C 21 1H5* C 21 -5.776 -15.061 0.578
218 2H5* C 21 2H5* C 21 -6.389 -16.724 0.470
219 H4* C 21 H4* C 21 -8.292 -15.289 0.816
220 H3* C 21 H3* C 21 -7.943 -16.238 -2.047
221 H2* C 21 1H2* C 21 -9.939 -15.161 -2.646
222 2HO* C 21 2HO* C 21 -11.440 -14.439 -1.119
223 H1* C 21 H1* C 21 -9.572 -12.895 -1.102
224 1H4 C 21 1H4 C 21 -6.327 -12.215 -6.848
225 2H4 C 21 2H4 C 21 -7.780 -11.250 -6.983
226 H5 C 21 H5 C 21 -5.833 -13.596 -4.940
227 H6 C 21 H6 C 21 -6.627 -14.360 -2.752
228 H3T C 21 H3T C 21 -8.468 -17.700 -0.272
Start of MODEL 4
1 1H5* G 1 1H5* G 1 -13.491 -1.758 -10.243
2 2H5* G 1 2H5* G 1 -12.718 -3.014 -11.244
3 H4* G 1 H4* G 1 -15.636 -3.218 -10.461
4 H3* G 1 H3* G 1 -13.213 -3.682 -8.696
5 H2* G 1 1H2* G 1 -14.244 -5.590 -7.780
6 2HO* G 1 2HO* G 1 -16.649 -4.866 -9.145
7 H1* G 1 H1* G 1 -15.253 -6.581 -10.136
8 H8 G 1 H8 G 1 -12.081 -5.792 -11.501
9 H1 G 1 H1 G 1 -11.165 -9.851 -6.672
10 1H2 G 1 1H2 G 1 -14.423 -9.017 -5.754
11 2H2 G 1 2H2 G 1 -12.986 -9.952 -5.407
12 H5T G 1 H5T G 1 -14.056 -0.999 -12.118
13 1H5* G 2 1H5* G 2 -16.183 -3.184 -4.792
14 2H5* G 2 2H5* G 2 -14.912 -2.193 -4.030
15 H4* G 2 H4* G 2 -15.793 -4.420 -2.901
16 H3* G 2 H3* G 2 -12.904 -3.561 -3.247
17 H2* G 2 1H2* G 2 -12.192 -5.485 -2.107
18 2HO* G 2 2HO* G 2 -13.976 -6.897 -1.192
19 H1* G 2 H1* G 2 -13.974 -7.242 -3.255
20 H8 G 2 H8 G 2 -12.920 -5.305 -6.163
21 H1 G 2 H1 G 2 -8.042 -8.768 -3.958
22 1H2 G 2 1H2 G 2 -10.016 -9.176 -1.114
23 2H2 G 2 2H2 G 2 -8.505 -9.523 -1.924
24 1H5* G 3 1H5* G 3 -12.978 -4.261 1.502
25 2H5* G 3 2H5* G 3 -11.974 -2.833 1.866
26 H4* G 3 H4* G 3 -11.219 -5.144 2.753
27 H3* G 3 H3* G 3 -9.466 -3.341 1.050
28 H2* G 3 1H2* G 3 -7.687 -4.850 1.338
29 2HO* G 3 2HO* G 3 -8.007 -6.691 2.836
30 H1* G 3 H1* G 3 -9.182 -7.153 1.067
31 H8 G 3 H8 G 3 -10.417 -4.900 -1.596
32 H1 G 3 H1 G 3 -4.565 -7.044 -2.917
33 1H2 G 3 1H2 G 3 -4.527 -8.070 0.417
34 2H2 G 3 2H2 G 3 -3.673 -7.976 -1.107
35 1H5* A 4 1H5* A 4 -6.955 -4.103 4.580
36 2H5* A 4 2H5* A 4 -6.091 -2.586 4.901
37 H4* A 4 H4* A 4 -4.572 -4.553 4.519
38 H3* A 4 H3* A 4 -4.530 -2.156 2.662
39 H2* A 4 1H2* A 4 -2.737 -3.100 1.477
40 2HO* A 4 2HO* A 4 -1.743 -3.849 3.588
41 H1* A 4 H1* A 4 -3.669 -5.686 1.465
42 H8 A 4 H8 A 4 -6.520 -3.297 0.847
43 1H6 A 4 1H6 A 4 -4.762 -3.074 -5.046
44 2H6 A 4 2H6 A 4 -6.016 -2.643 -3.905
45 H2 A 4 H2 A 4 -1.571 -5.223 -2.721
46 1H5* U 5 1H5* U 5 -0.164 -2.297 4.230
47 2H5* U 5 2H5* U 5 0.357 -0.610 4.049
48 H4* U 5 H4* U 5 1.675 -2.395 2.730
49 H3* U 5 H3* U 5 0.425 0.083 1.508
50 H2* U 5 1H2* U 5 1.318 -0.486 -0.584
51 2HO* U 5 2HO* U 5 2.908 -2.434 0.779
52 H1* U 5 H1* U 5 0.854 -3.201 -0.429
53 H3 U 5 H3 U 5 -1.842 -1.535 -3.707
54 H5 U 5 H5 U 5 -3.779 -0.505 -0.110
55 H6 U 5 H6 U 5 -1.823 -1.285 1.091
56 1H5* C 6 1H5* C 6 4.683 -0.052 -0.314
57 2H5* C 6 2H5* C 6 5.199 1.562 0.219
58 H4* C 6 H4* C 6 5.682 1.312 -2.160
59 H3* C 6 H3* C 6 3.362 3.122 -1.423
60 H2* C 6 1H2* C 6 3.089 3.693 -3.688
61 2HO* C 6 2HO* C 6 5.640 3.535 -3.855
62 H1* C 6 H1* C 6 3.425 1.165 -4.701
63 1H4 C 6 1H4 C 6 -2.740 1.661 -2.299
64 2H4 C 6 2H4 C 6 -2.870 1.931 -4.022
65 H5 C 6 H5 C 6 -0.638 1.385 -1.161
66 H6 C 6 H6 C 6 1.793 1.296 -1.427
67 1H5* A 7 1H5* A 7 6.365 6.413 -2.998
68 2H5* A 7 2H5* A 7 5.568 7.899 -2.446
69 H4* A 7 H4* A 7 5.712 7.432 -5.011
70 H3* A 7 H3* A 7 3.213 8.237 -3.485
71 H2* A 7 1H2* A 7 2.018 8.306 -5.503
72 2HO* A 7 2HO* A 7 3.030 9.121 -7.164
73 H1* A 7 H1* A 7 3.172 6.070 -6.653
74 H8 A 7 H8 A 7 2.259 5.634 -2.979
75 1H6 A 7 1H6 A 7 -3.347 3.978 -4.909
76 2H6 A 7 2H6 A 7 -2.282 4.096 -3.526
77 H2 A 7 H2 A 7 -1.045 5.498 -8.456
78 1H5* C 8 1H5* C 8 2.374 12.649 -5.630
79 2H5* C 8 2H5* C 8 0.818 12.207 -4.897
80 H4* C 8 H4* C 8 1.769 11.841 -7.663
81 H3* C 8 H3* C 8 -0.876 11.908 -6.176
82 H2* C 8 1H2* C 8 -1.939 10.899 -8.011
83 2HO* C 8 2HO* C 8 -0.774 10.620 -10.028
84 H1* C 8 H1* C 8 0.047 9.081 -8.591
85 1H4 C 8 1H4 C 8 -3.436 6.558 -3.573
86 2H4 C 8 2H4 C 8 -4.486 6.339 -4.955
87 H5 C 8 H5 C 8 -1.368 7.774 -3.670
88 H6 C 8 H6 C 8 0.125 9.095 -5.093
89 1H5* C 9 1H5* C 9 -3.760 14.901 -9.658
90 2H5* C 9 2H5* C 9 -4.370 14.302 -8.103
91 H4* C 9 H4* C 9 -4.696 13.178 -10.840
92 H3* C 9 H3* C 9 -6.225 13.252 -8.222
93 H2* C 9 1H2* C 9 -7.487 11.393 -8.888
94 2HO* C 9 2HO* C 9 -7.417 10.624 -11.072
95 H1* C 9 H1* C 9 -5.423 9.996 -10.089
96 1H4 C 9 1H4 C 9 -5.114 8.742 -3.607
97 2H4 C 9 2H4 C 9 -6.360 7.668 -4.199
98 H5 C 9 H5 C 9 -4.074 10.434 -4.967
99 H6 C 9 H6 C 9 -3.996 11.457 -7.190
100 1H5* A 10 1H5* A 10 -11.389 13.699 -9.504
101 2H5* A 10 2H5* A 10 -10.502 14.233 -8.062
102 H4* A 10 H4* A 10 -11.453 11.513 -8.820
103 H3* A 10 H3* A 10 -10.952 13.116 -6.294
104 H2* A 10 1H2* A 10 -10.841 11.128 -5.047
105 2HO* A 10 2HO* A 10 -11.868 9.343 -5.614
106 H1* A 10 H1* A 10 -9.384 9.674 -6.868
107 H8 A 10 H8 A 10 -7.823 13.024 -6.903
108 1H6 A 10 1H6 A 10 -5.152 11.740 -1.508
109 2H6 A 10 2H6 A 10 -5.185 12.844 -2.865
110 H2 A 10 H2 A 10 -8.247 8.586 -2.320
111 1H5* U 11 1H5* U 11 -13.446 10.394 -5.138
112 2H5* U 11 2H5* U 11 -15.065 10.988 -4.718
113 H4* U 11 H4* U 11 -14.304 9.330 -3.072
114 H3* U 11 H3* U 11 -15.433 11.721 -2.418
115 H2* U 11 1H2* U 11 -13.460 12.960 -2.105
116 2HO* U 11 2HO* U 11 -12.938 12.723 0.284
117 H1* U 11 H1* U 11 -12.104 10.718 -0.624
118 H3 U 11 H3 U 11 -8.232 12.957 -0.605
119 H5 U 11 H5 U 11 -9.887 14.040 -4.327
120 H6 U 11 H6 U 11 -11.821 12.682 -3.788
121 1H5* U 12 1H5* U 12 -17.323 8.395 1.206
122 2H5* U 12 2H5* U 12 -16.595 8.682 2.796
123 H4* U 12 H4* U 12 -15.636 7.067 0.589
124 H3* U 12 H3* U 12 -15.752 6.883 3.303
125 H2* U 12 1H2* U 12 -14.194 8.484 3.864
126 2HO* U 12 2HO* U 12 -12.695 6.113 3.362
127 H1* U 12 H1* U 12 -12.275 7.769 1.666
128 H3 U 12 H3 U 12 -9.898 11.333 3.025
129 H5 U 12 H5 U 12 -13.827 12.839 2.811
130 H6 U 12 H6 U 12 -14.587 10.603 2.259
131 1H5* A 13 1H5* A 13 -18.148 4.785 -0.563
132 2H5* A 13 2H5* A 13 -17.439 3.334 0.172
133 H4* A 13 H4* A 13 -16.900 4.087 -2.360
134 H3* A 13 H3* A 13 -15.734 2.335 -0.448
135 H2* A 13 1H2* A 13 -13.765 3.470 -0.127
136 2HO* A 13 2HO* A 13 -13.045 1.745 -1.403
137 H1* A 13 H1* A 13 -13.866 4.769 -2.852
138 H8 A 13 H8 A 13 -13.325 5.244 0.934
139 1H6 A 13 1H6 A 13 -9.101 9.439 -0.596
140 2H6 A 13 2H6 A 13 -9.805 8.528 0.722
141 H2 A 13 H2 A 13 -11.191 8.121 -4.339
142 1H5* G 14 1H5* G 14 -13.154 -0.058 -4.809
143 2H5* G 14 2H5* G 14 -13.141 0.912 -3.314
144 H4* G 14 H4* G 14 -14.870 1.902 -5.545
145 H3* G 14 H3* G 14 -11.860 1.597 -5.772
146 H2* G 14 1H2* G 14 -11.694 3.711 -6.747
147 2HO* G 14 2HO* G 14 -13.679 3.253 -8.099
148 H1* G 14 H1* G 14 -13.552 4.988 -5.162
149 H8 G 14 H8 G 14 -11.827 3.293 -2.593
150 H1 G 14 H1 G 14 -7.710 7.172 -5.529
151 1H2 G 14 1H2 G 14 -10.115 7.294 -8.046
152 2H2 G 14 2H2 G 14 -8.547 7.818 -7.475
153 1H5* G 15 1H5* G 15 -12.830 3.513 -10.277
154 2H5* G 15 2H5* G 15 -12.558 1.855 -10.876
155 H4* G 15 H4* G 15 -11.252 3.422 -12.198
156 H3* G 15 H3* G 15 -9.641 1.886 -10.129
157 H2* G 15 1H2* G 15 -7.674 2.842 -11.031
158 2HO* G 15 2HO* G 15 -9.039 2.874 -13.294
159 H1* G 15 H1* G 15 -8.669 5.383 -11.191
160 H8 G 15 H8 G 15 -9.862 3.374 -8.154
161 H1 G 15 H1 G 15 -4.265 6.295 -7.270
162 1H2 G 15 1H2 G 15 -4.501 7.090 -10.658
163 2H2 G 15 2H2 G 15 -3.579 7.207 -9.176
164 1H5* G 16 1H5* G 16 -7.728 1.217 -13.750
165 2H5* G 16 2H5* G 16 -7.134 -0.454 -13.942
166 H4* G 16 H4* G 16 -5.385 1.333 -14.216
167 H3* G 16 H3* G 16 -5.180 -0.628 -11.906
168 H2* G 16 1H2* G 16 -3.091 0.299 -11.358
169 2HO* G 16 2HO* G 16 -2.811 0.588 -13.930
170 H1* G 16 H1* G 16 -3.772 2.934 -11.840
171 H8 G 16 H8 G 16 -6.625 1.570 -9.933
172 H1 G 16 H1 G 16 -1.496 2.285 -6.213
173 1H2 G 16 1H2 G 16 0.249 2.623 -9.212
174 2H2 G 16 2H2 G 16 0.311 2.583 -7.465
175 1H5* A 17 1H5* A 17 -1.525 -1.215 -14.015
176 2H5* A 17 2H5* A 17 -1.177 -2.948 -14.179
177 H4* A 17 H4* A 17 0.713 -1.847 -13.097
178 H3* A 17 H3* A 17 -1.035 -3.604 -11.348
179 H2* A 17 1H2* A 17 0.413 -3.242 -9.530
180 2HO* A 17 2HO* A 17 2.479 -3.151 -9.957
181 H1* A 17 H1* A 17 0.794 -0.556 -9.953
182 H8 A 17 H8 A 17 -2.801 -1.530 -10.630
183 1H6 A 17 1H6 A 17 -3.821 -0.960 -4.590
184 2H6 A 17 2H6 A 17 -4.568 -1.169 -6.157
185 H2 A 17 H2 A 17 0.610 -0.734 -5.276
186 1H5* U 18 1H5* U 18 2.820 -5.238 -10.840
187 2H5* U 18 2H5* U 18 2.796 -7.013 -10.800
188 H4* U 18 H4* U 18 3.783 -6.146 -8.732
189 H3* U 18 H3* U 18 1.024 -7.392 -8.545
190 H2* U 18 1H2* U 18 1.040 -7.099 -6.217
191 2HO* U 18 2HO* U 18 2.980 -6.475 -5.109
192 H1* U 18 H1* U 18 2.203 -4.599 -6.199
193 H3 U 18 H3 U 18 -2.033 -3.837 -4.793
194 H5 U 18 H5 U 18 -2.483 -4.755 -8.880
195 H6 U 18 H6 U 18 -0.119 -5.284 -8.957
196 1H5* C 19 1H5* C 19 3.277 -9.690 -5.587
197 2H5* C 19 2H5* C 19 2.788 -11.386 -5.778
198 H4* C 19 H4* C 19 2.415 -10.633 -3.464
199 H3* C 19 H3* C 19 -0.043 -11.130 -5.181
200 H2* C 19 1H2* C 19 -1.393 -10.764 -3.286
201 2HO* C 19 2HO* C 19 1.033 -10.913 -1.779
202 H1* C 19 H1* C 19 0.019 -8.603 -2.332
203 1H4 C 19 1H4 C 19 -4.040 -6.623 -7.195
204 2H4 C 19 2H4 C 19 -4.886 -6.301 -5.698
205 H5 C 19 H5 C 19 -1.906 -7.736 -7.292
206 H6 C 19 H6 C 19 -0.132 -8.796 -5.979
207 1H5* U 20 1H5* U 20 -1.022 -13.591 -1.711
208 2H5* U 20 2H5* U 20 -2.202 -14.766 -2.322
209 H4* U 20 H4* U 20 -2.986 -12.926 -0.629
210 H3* U 20 H3* U 20 -4.375 -13.689 -3.220
211 H2* U 20 1H2* U 20 -6.102 -12.183 -2.709
212 2HO* U 20 2HO* U 20 -6.720 -12.017 -0.704
213 H1* U 20 H1* U 20 -4.502 -10.181 -1.669
214 H3 U 20 H3 U 20 -6.535 -8.697 -5.500
215 H5 U 20 H5 U 20 -3.192 -10.904 -6.804
216 H6 U 20 H6 U 20 -2.866 -11.644 -4.518
217 1H5* C 21 1H5* C 21 -7.662 -13.895 0.073
218 2H5* C 21 2H5* C 21 -8.345 -15.485 -0.323
219 H4* C 21 H4* C 21 -10.130 -13.798 -0.124
220 H3* C 21 H3* C 21 -9.519 -14.919 -2.876
221 H2* C 21 1H2* C 21 -11.285 -13.674 -3.790
222 2HO* C 21 2HO* C 21 -13.018 -13.114 -2.668
223 H1* C 21 H1* C 21 -10.879 -11.372 -2.316
224 1H4 C 21 1H4 C 21 -6.753 -11.358 -7.508
225 2H4 C 21 2H4 C 21 -8.099 -10.331 -7.948
226 H5 C 21 H5 C 21 -6.665 -12.609 -5.451
227 H6 C 21 H6 C 21 -7.850 -13.145 -3.374
228 H3T C 21 H3T C 21 -11.241 -16.212 -2.360
Start of MODEL 5
1 1H5* G 1 1H5* G 1 -14.805 -3.175 -11.683
2 2H5* G 1 2H5* G 1 -14.505 -2.025 -10.352
3 H4* G 1 H4* G 1 -16.210 -3.675 -9.722
4 H3* G 1 H3* G 1 -13.476 -3.990 -8.446
5 H2* G 1 1H2* G 1 -14.280 -5.785 -7.156
6 2HO* G 1 2HO* G 1 -16.560 -4.462 -7.226
7 H1* G 1 H1* G 1 -15.747 -6.989 -9.146
8 H8 G 1 H8 G 1 -12.857 -6.291 -11.135
9 H1 G 1 H1 G 1 -11.149 -10.168 -6.375
10 1H2 G 1 1H2 G 1 -14.187 -9.247 -4.938
11 2H2 G 1 2H2 G 1 -12.719 -10.190 -4.808
12 H5T G 1 H5T G 1 -12.544 -2.753 -10.146
13 1H5* G 2 1H5* G 2 -16.047 -4.675 -5.077
14 2H5* G 2 2H5* G 2 -15.693 -3.263 -4.047
15 H4* G 2 H4* G 2 -15.685 -5.314 -2.718
16 H3* G 2 H3* G 2 -12.956 -4.133 -3.325
17 H2* G 2 1H2* G 2 -11.963 -5.774 -1.955
18 2HO* G 2 2HO* G 2 -13.305 -5.851 -0.191
19 H1* G 2 H1* G 2 -13.462 -7.879 -2.869
20 H8 G 2 H8 G 2 -12.672 -5.675 -5.803
21 H1 G 2 H1 G 2 -7.678 -9.220 -4.036
22 1H2 G 2 1H2 G 2 -9.576 -9.934 -1.201
23 2H2 G 2 2H2 G 2 -8.078 -10.172 -2.072
24 1H5* G 3 1H5* G 3 -12.831 -3.517 1.209
25 2H5* G 3 2H5* G 3 -11.460 -2.390 1.380
26 H4* G 3 H4* G 3 -11.358 -4.967 2.134
27 H3* G 3 H3* G 3 -9.212 -3.324 0.745
28 H2* G 3 1H2* G 3 -7.766 -5.171 0.873
29 2HO* G 3 2HO* G 3 -9.516 -5.973 2.925
30 H1* G 3 H1* G 3 -9.662 -7.101 0.295
31 H8 G 3 H8 G 3 -10.369 -4.563 -2.240
32 H1 G 3 H1 G 3 -4.731 -7.310 -3.357
33 1H2 G 3 1H2 G 3 -5.014 -8.506 -0.094
34 2H2 G 3 2H2 G 3 -4.064 -8.433 -1.562
35 1H5* A 4 1H5* A 4 -7.148 -3.985 4.597
36 2H5* A 4 2H5* A 4 -6.340 -2.468 5.046
37 H4* A 4 H4* A 4 -4.701 -4.292 4.792
38 H3* A 4 H3* A 4 -4.694 -2.058 2.740
39 H2* A 4 1H2* A 4 -2.802 -3.010 1.714
40 2HO* A 4 2HO* A 4 -2.616 -4.843 3.898
41 H1* A 4 H1* A 4 -3.643 -5.618 1.845
42 H8 A 4 H8 A 4 -6.535 -3.320 1.019
43 1H6 A 4 1H6 A 4 -4.679 -3.495 -4.845
44 2H6 A 4 2H6 A 4 -5.947 -2.977 -3.756
45 H2 A 4 H2 A 4 -1.532 -5.485 -2.331
46 1H5* U 5 1H5* U 5 -0.721 -2.421 4.168
47 2H5* U 5 2H5* U 5 0.060 -0.840 4.386
48 H4* U 5 H4* U 5 1.392 -2.300 2.897
49 H3* U 5 H3* U 5 0.053 0.155 1.721
50 H2* U 5 1H2* U 5 1.041 -0.293 -0.360
51 2HO* U 5 2HO* U 5 2.580 -2.328 -0.220
52 H1* U 5 H1* U 5 0.727 -3.036 -0.305
53 H3 U 5 H3 U 5 -2.029 -1.660 -3.624
54 H5 U 5 H5 U 5 -3.985 -0.418 -0.107
55 H6 U 5 H6 U 5 -2.030 -1.111 1.149
56 1H5* C 6 1H5* C 6 4.932 2.686 0.600
57 2H5* C 6 2H5* C 6 3.370 3.455 0.262
58 H4* C 6 H4* C 6 5.251 2.142 -1.578
59 H3* C 6 H3* C 6 2.896 4.049 -1.741
60 H2* C 6 1H2* C 6 2.730 3.648 -4.052
61 2HO* C 6 2HO* C 6 5.382 2.749 -3.743
62 H1* C 6 H1* C 6 3.131 0.933 -3.941
63 1H4 C 6 1H4 C 6 -3.167 2.056 -2.236
64 2H4 C 6 2H4 C 6 -3.179 2.006 -3.986
65 H5 C 6 H5 C 6 -1.153 1.978 -0.928
66 H6 C 6 H6 C 6 1.290 1.835 -1.004
67 1H5* A 7 1H5* A 7 6.032 6.383 -4.084
68 2H5* A 7 2H5* A 7 5.745 8.109 -3.784
69 H4* A 7 H4* A 7 5.490 7.538 -6.186
70 H3* A 7 H3* A 7 3.056 8.414 -4.601
71 H2* A 7 1H2* A 7 1.744 8.324 -6.544
72 2HO* A 7 2HO* A 7 4.233 8.233 -7.940
73 H1* A 7 H1* A 7 2.841 6.017 -7.591
74 H8 A 7 H8 A 7 2.252 5.844 -3.838
75 1H6 A 7 1H6 A 7 -3.484 4.032 -5.131
76 2H6 A 7 2H6 A 7 -2.299 4.250 -3.863
77 H2 A 7 H2 A 7 -1.530 5.312 -8.971
78 1H5* C 8 1H5* C 8 1.415 12.562 -5.584
79 2H5* C 8 2H5* C 8 0.142 11.527 -4.905
80 H4* C 8 H4* C 8 1.306 11.533 -7.693
81 H3* C 8 H3* C 8 -1.446 11.571 -6.414
82 H2* C 8 1H2* C 8 -2.343 10.565 -8.346
83 2HO* C 8 2HO* C 8 -1.535 11.173 -10.197
84 H1* C 8 H1* C 8 -0.336 8.732 -8.713
85 1H4 C 8 1H4 C 8 -4.210 6.393 -3.882
86 2H4 C 8 2H4 C 8 -5.143 6.116 -5.336
87 H5 C 8 H5 C 8 -2.135 7.608 -3.860
88 H6 C 8 H6 C 8 -0.523 8.862 -5.213
89 1H5* C 9 1H5* C 9 -2.394 13.237 -10.176
90 2H5* C 9 2H5* C 9 -3.811 14.288 -9.990
91 H4* C 9 H4* C 9 -4.145 12.131 -11.349
92 H3* C 9 H3* C 9 -5.837 12.902 -8.948
93 H2* C 9 1H2* C 9 -7.174 11.006 -9.296
94 2HO* C 9 2HO* C 9 -7.010 11.449 -11.745
95 H1* C 9 H1* C 9 -5.137 9.269 -9.988
96 1H4 C 9 1H4 C 9 -5.437 9.425 -3.385
97 2H4 C 9 2H4 C 9 -6.653 8.260 -3.859
98 H5 C 9 H5 C 9 -4.229 10.788 -4.960
99 H6 C 9 H6 C 9 -3.914 11.318 -7.330
100 1H5* A 10 1H5* A 10 -9.004 11.775 -11.373
101 2H5* A 10 2H5* A 10 -10.392 12.705 -10.769
102 H4* A 10 H4* A 10 -10.284 10.156 -10.226
103 H3* A 10 H3* A 10 -10.791 12.393 -8.238
104 H2* A 10 1H2* A 10 -11.046 10.818 -6.510
105 2HO* A 10 2HO* A 10 -11.192 8.852 -8.582
106 H1* A 10 H1* A 10 -8.993 9.146 -7.266
107 H8 A 10 H8 A 10 -7.744 12.637 -7.696
108 1H6 A 10 1H6 A 10 -6.752 12.842 -1.623
109 2H6 A 10 2H6 A 10 -6.464 13.643 -3.152
110 H2 A 10 H2 A 10 -9.186 9.170 -2.517
111 1H5* U 11 1H5* U 11 -13.225 9.513 -7.105
112 2H5* U 11 2H5* U 11 -14.912 9.934 -7.468
113 H4* U 11 H4* U 11 -14.716 8.918 -5.226
114 H3* U 11 H3* U 11 -16.172 11.144 -5.805
115 H2* U 11 1H2* U 11 -14.572 12.769 -5.244
116 2HO* U 11 2HO* U 11 -15.092 13.547 -3.142
117 H1* U 11 H1* U 11 -13.718 11.310 -2.754
118 H3 U 11 H3 U 11 -10.221 14.049 -2.180
119 H5 U 11 H5 U 11 -10.584 13.912 -6.376
120 H6 U 11 H6 U 11 -12.484 12.434 -6.099
121 1H5* U 12 1H5* U 12 -19.038 8.597 -2.199
122 2H5* U 12 2H5* U 12 -19.097 9.507 -0.681
123 H4* U 12 H4* U 12 -17.146 7.581 -1.592
124 H3* U 12 H3* U 12 -18.346 8.258 0.755
125 H2* U 12 1H2* U 12 -17.323 10.293 1.134
126 2HO* U 12 2HO* U 12 -16.642 9.262 2.947
127 H1* U 12 H1* U 12 -14.610 9.401 0.201
128 H3 U 12 H3 U 12 -13.250 13.651 0.563
129 H5 U 12 H5 U 12 -17.082 14.057 -1.143
130 H6 U 12 H6 U 12 -17.329 11.648 -1.004
131 1H5* A 13 1H5* A 13 -19.096 4.445 -2.100
132 2H5* A 13 2H5* A 13 -18.364 3.552 -0.754
133 H4* A 13 H4* A 13 -17.180 3.932 -3.212
134 H3* A 13 H3* A 13 -16.406 2.965 -0.590
135 H2* A 13 1H2* A 13 -14.671 4.414 -0.255
136 2HO* A 13 2HO* A 13 -13.423 2.688 -0.950
137 H1* A 13 H1* A 13 -14.470 5.091 -3.190
138 H8 A 13 H8 A 13 -15.035 6.672 0.303
139 1H6 A 13 1H6 A 13 -10.651 10.677 -1.306
140 2H6 A 13 2H6 A 13 -11.718 10.163 -0.019
141 H2 A 13 H2 A 13 -11.406 7.934 -4.782
142 1H5* G 14 1H5* G 14 -14.382 -0.267 -4.321
143 2H5* G 14 2H5* G 14 -12.642 0.106 -4.269
144 H4* G 14 H4* G 14 -14.920 1.565 -5.469
145 H3* G 14 H3* G 14 -11.898 1.490 -5.710
146 H2* G 14 1H2* G 14 -11.912 3.544 -6.814
147 2HO* G 14 2HO* G 14 -13.751 2.922 -8.198
148 H1* G 14 H1* G 14 -13.879 4.765 -5.322
149 H8 G 14 H8 G 14 -12.111 3.600 -2.583
150 H1 G 14 H1 G 14 -8.118 7.224 -5.975
151 1H2 G 14 1H2 G 14 -10.404 6.743 -8.566
152 2H2 G 14 2H2 G 14 -8.901 7.467 -8.039
153 1H5* G 15 1H5* G 15 -13.287 2.386 -10.761
154 2H5* G 15 2H5* G 15 -12.462 0.815 -10.940
155 H4* G 15 H4* G 15 -11.633 2.736 -12.410
156 H3* G 15 H3* G 15 -9.824 1.311 -10.430
157 H2* G 15 1H2* G 15 -7.997 2.567 -11.239
158 2HO* G 15 2HO* G 15 -9.630 3.743 -13.248
159 H1* G 15 H1* G 15 -9.299 4.970 -11.323
160 H8 G 15 H8 G 15 -10.394 2.955 -8.306
161 H1 G 15 H1 G 15 -4.789 5.860 -7.437
162 1H2 G 15 1H2 G 15 -4.993 6.595 -10.840
163 2H2 G 15 2H2 G 15 -4.082 6.734 -9.353
164 1H5* G 16 1H5* G 16 -7.541 1.808 -13.625
165 2H5* G 16 2H5* G 16 -7.155 0.232 -14.362
166 H4* G 16 H4* G 16 -5.135 1.526 -14.332
167 H3* G 16 H3* G 16 -5.280 -0.406 -11.991
168 H2* G 16 1H2* G 16 -3.098 0.233 -11.387
169 2HO* G 16 2HO* G 16 -2.713 0.470 -13.958
170 H1* G 16 H1* G 16 -3.421 2.930 -11.901
171 H8 G 16 H8 G 16 -6.498 1.903 -10.113
172 H1 G 16 H1 G 16 -1.483 2.068 -6.181
173 1H2 G 16 1H2 G 16 0.412 2.262 -9.101
174 2H2 G 16 2H2 G 16 0.397 2.200 -7.353
175 1H5* A 17 1H5* A 17 -1.859 -1.274 -14.009
176 2H5* A 17 2H5* A 17 -1.398 -2.981 -14.162
177 H4* A 17 H4* A 17 0.382 -1.750 -13.027
178 H3* A 17 H3* A 17 -1.275 -3.650 -11.341
179 H2* A 17 1H2* A 17 0.081 -3.191 -9.480
180 2HO* A 17 2HO* A 17 2.074 -2.120 -9.665
181 H1* A 17 H1* A 17 0.334 -0.483 -9.906
182 H8 A 17 H8 A 17 -3.205 -1.634 -10.580
183 1H6 A 17 1H6 A 17 -4.235 -1.159 -4.533
184 2H6 A 17 2H6 A 17 -4.974 -1.395 -6.101
185 H2 A 17 H2 A 17 0.179 -0.697 -5.232
186 1H5* U 18 1H5* U 18 2.636 -4.624 -10.511
187 2H5* U 18 2H5* U 18 2.957 -6.362 -10.678
188 H4* U 18 H4* U 18 3.735 -5.731 -8.497
189 H3* U 18 H3* U 18 1.037 -7.115 -8.494
190 H2* U 18 1H2* U 18 0.993 -7.042 -6.148
191 2HO* U 18 2HO* U 18 3.769 -6.417 -6.357
192 H1* U 18 H1* U 18 1.985 -4.490 -5.882
193 H3 U 18 H3 U 18 -2.328 -4.042 -4.612
194 H5 U 18 H5 U 18 -2.587 -4.745 -8.758
195 H6 U 18 H6 U 18 -0.194 -5.134 -8.775
196 1H5* C 19 1H5* C 19 3.205 -9.249 -5.814
197 2H5* C 19 2H5* C 19 3.104 -11.012 -5.995
198 H4* C 19 H4* C 19 2.441 -10.483 -3.739
199 H3* C 19 H3* C 19 0.131 -11.109 -5.606
200 H2* C 19 1H2* C 19 -1.355 -10.944 -3.790
201 2HO* C 19 2HO* C 19 1.001 -11.117 -2.201
202 H1* C 19 H1* C 19 -0.212 -8.719 -2.651
203 1H4 C 19 1H4 C 19 -4.092 -6.883 -7.717
204 2H4 C 19 2H4 C 19 -5.034 -6.633 -6.264
205 H5 C 19 H5 C 19 -1.892 -7.861 -7.711
206 H6 C 19 H6 C 19 -0.129 -8.833 -6.316
207 1H5* U 20 1H5* U 20 -0.495 -13.615 -2.291
208 2H5* U 20 2H5* U 20 -1.403 -15.073 -2.740
209 H4* U 20 H4* U 20 -2.608 -13.523 -1.139
210 H3* U 20 H3* U 20 -3.753 -14.214 -3.865
211 H2* U 20 1H2* U 20 -5.697 -13.013 -3.333
212 2HO* U 20 2HO* U 20 -4.806 -13.373 -0.677
213 H1* U 20 H1* U 20 -4.448 -10.919 -2.028
214 H3 U 20 H3 U 20 -6.273 -9.069 -5.738
215 H5 U 20 H5 U 20 -3.039 -11.327 -7.220
216 H6 U 20 H6 U 20 -2.709 -12.204 -4.985
217 1H5* C 21 1H5* C 21 -6.775 -14.775 -0.759
218 2H5* C 21 2H5* C 21 -7.481 -16.386 -1.003
219 H4* C 21 H4* C 21 -9.304 -14.831 -0.709
220 H3* C 21 H3* C 21 -8.820 -15.700 -3.577
221 H2* C 21 1H2* C 21 -10.686 -14.459 -4.268
222 2HO* C 21 2HO* C 21 -11.849 -15.232 -2.199
223 H1* C 21 H1* C 21 -10.275 -12.280 -2.612
224 1H4 C 21 1H4 C 21 -6.594 -11.652 -8.099
225 2H4 C 21 2H4 C 21 -7.926 -10.528 -8.257
226 H5 C 21 H5 C 21 -6.367 -13.176 -6.247
227 H6 C 21 H6 C 21 -7.367 -13.954 -4.151
228 H3T C 21 H3T C 21 -10.232 -16.546 -1.340
Start of MODEL 6
1 1H5* G 1 1H5* G 1 -10.103 -3.506 -10.816
2 2H5* G 1 2H5* G 1 -11.375 -3.125 -12.006
3 H4* G 1 H4* G 1 -12.980 -4.380 -10.601
4 H3* G 1 H3* G 1 -10.590 -4.549 -8.741
5 H2* G 1 1H2* G 1 -11.265 -6.687 -8.052
6 2HO* G 1 2HO* G 1 -13.715 -6.416 -9.476
7 H1* G 1 H1* G 1 -12.053 -7.611 -10.529
8 H8 G 1 H8 G 1 -8.949 -6.136 -11.546
9 H1 G 1 H1 G 1 -7.732 -10.823 -7.398
10 1H2 G 1 1H2 G 1 -11.121 -10.595 -6.613
11 2H2 G 1 2H2 G 1 -9.587 -11.378 -6.314
12 H5T G 1 H5T G 1 -11.731 -1.437 -10.854
13 1H5* G 2 1H5* G 2 -13.980 -5.074 -6.114
14 2H5* G 2 2H5* G 2 -13.881 -3.986 -4.705
15 H4* G 2 H4* G 2 -14.281 -6.298 -3.996
16 H3* G 2 H3* G 2 -11.488 -5.210 -3.529
17 H2* G 2 1H2* G 2 -10.889 -7.210 -2.443
18 2HO* G 2 2HO* G 2 -12.801 -8.835 -2.289
19 H1* G 2 H1* G 2 -12.124 -8.915 -4.206
20 H8 G 2 H8 G 2 -10.579 -6.201 -6.249
21 H1 G 2 H1 G 2 -6.207 -10.283 -4.051
22 1H2 G 2 1H2 G 2 -8.779 -11.466 -2.015
23 2H2 G 2 2H2 G 2 -7.103 -11.595 -2.502
24 1H5* G 3 1H5* G 3 -12.325 -6.269 0.219
25 2H5* G 3 2H5* G 3 -11.978 -5.030 1.454
26 H4* G 3 H4* G 3 -10.681 -7.042 1.905
27 H3* G 3 H3* G 3 -9.113 -4.744 0.689
28 H2* G 3 1H2* G 3 -7.134 -5.994 0.909
29 2HO* G 3 2HO* G 3 -8.451 -7.102 2.991
30 H1* G 3 H1* G 3 -8.194 -8.403 0.104
31 H8 G 3 H8 G 3 -9.581 -5.707 -2.108
32 H1 G 3 H1 G 3 -3.566 -7.195 -3.593
33 1H2 G 3 1H2 G 3 -3.580 -8.937 -0.572
34 2H2 G 3 2H2 G 3 -2.682 -8.459 -1.996
35 1H5* A 4 1H5* A 4 -7.442 -4.005 4.928
36 2H5* A 4 2H5* A 4 -6.624 -2.450 4.671
37 H4* A 4 H4* A 4 -5.251 -4.728 4.719
38 H3* A 4 H3* A 4 -4.920 -2.362 2.851
39 H2* A 4 1H2* A 4 -3.103 -3.434 1.812
40 2HO* A 4 2HO* A 4 -1.971 -4.226 3.566
41 H1* A 4 H1* A 4 -4.215 -5.944 1.724
42 H8 A 4 H8 A 4 -6.982 -3.615 0.861
43 1H6 A 4 1H6 A 4 -4.538 -2.975 -4.750
44 2H6 A 4 2H6 A 4 -5.938 -2.659 -3.749
45 H2 A 4 H2 A 4 -1.545 -5.109 -2.164
46 1H5* U 5 1H5* U 5 -0.932 -2.723 4.224
47 2H5* U 5 2H5* U 5 -0.263 -1.100 4.491
48 H4* U 5 H4* U 5 0.994 -2.424 2.769
49 H3* U 5 H3* U 5 -0.438 0.141 2.006
50 H2* U 5 1H2* U 5 0.420 -0.032 -0.170
51 2HO* U 5 2HO* U 5 2.268 -1.844 1.005
52 H1* U 5 H1* U 5 0.142 -2.772 -0.427
53 H3 U 5 H3 U 5 -2.630 -0.665 -3.404
54 H5 U 5 H5 U 5 -4.716 -0.640 0.258
55 H6 U 5 H6 U 5 -2.702 -1.455 1.335
56 1H5* C 6 1H5* C 6 3.895 0.343 0.698
57 2H5* C 6 2H5* C 6 4.412 2.013 1.009
58 H4* C 6 H4* C 6 4.922 1.253 -1.322
59 H3* C 6 H3* C 6 2.971 3.526 -0.830
60 H2* C 6 1H2* C 6 2.730 3.832 -3.143
61 2HO* C 6 2HO* C 6 5.175 2.418 -3.266
62 H1* C 6 H1* C 6 2.734 1.163 -3.858
63 1H4 C 6 1H4 C 6 -3.412 2.745 -1.956
64 2H4 C 6 2H4 C 6 -3.406 2.846 -3.702
65 H5 C 6 H5 C 6 -1.431 2.328 -0.651
66 H6 C 6 H6 C 6 0.979 1.899 -0.739
67 1H5* A 7 1H5* A 7 6.222 7.924 -2.637
68 2H5* A 7 2H5* A 7 4.638 7.673 -1.878
69 H4* A 7 H4* A 7 5.609 6.660 -4.573
70 H3* A 7 H3* A 7 3.399 8.480 -3.567
71 H2* A 7 1H2* A 7 2.027 7.819 -5.352
72 2HO* A 7 2HO* A 7 4.422 6.774 -6.502
73 H1* A 7 H1* A 7 2.708 5.144 -5.338
74 H8 A 7 H8 A 7 2.244 6.462 -1.823
75 1H6 A 7 1H6 A 7 -3.793 5.492 -2.533
76 2H6 A 7 2H6 A 7 -2.532 5.905 -1.395
77 H2 A 7 H2 A 7 -1.810 4.924 -6.524
78 1H5* C 8 1H5* C 8 2.595 11.610 -7.254
79 2H5* C 8 2H5* C 8 1.002 11.188 -6.591
80 H4* C 8 H4* C 8 2.638 9.754 -8.684
81 H3* C 8 H3* C 8 -0.230 10.688 -8.327
82 H2* C 8 1H2* C 8 -0.932 9.022 -9.847
83 2HO* C 8 2HO* C 8 1.117 9.429 -11.179
84 H1* C 8 H1* C 8 0.620 7.010 -8.828
85 1H4 C 8 1H4 C 8 -4.503 7.672 -4.697
86 2H4 C 8 2H4 C 8 -5.179 6.830 -6.073
87 H5 C 8 H5 C 8 -2.269 8.556 -4.662
88 H6 C 8 H6 C 8 -0.195 8.836 -5.933
89 1H5* C 9 1H5* C 9 0.009 10.531 -12.523
90 2H5* C 9 2H5* C 9 -0.957 11.846 -13.224
91 H4* C 9 H4* C 9 -1.749 9.500 -13.801
92 H3* C 9 H3* C 9 -3.516 11.514 -12.375
93 H2* C 9 1H2* C 9 -5.304 10.000 -12.432
94 2HO* C 9 2HO* C 9 -5.046 9.348 -14.622
95 H1* C 9 H1* C 9 -3.840 7.717 -11.901
96 1H4 C 9 1H4 C 9 -5.124 10.468 -6.045
97 2H4 C 9 2H4 C 9 -6.575 9.573 -6.438
98 H5 C 9 H5 C 9 -3.303 10.772 -7.588
99 H6 C 9 H6 C 9 -2.464 10.263 -9.830
100 1H5* A 10 1H5* A 10 -7.865 11.705 -15.739
101 2H5* A 10 2H5* A 10 -7.244 12.834 -14.520
102 H4* A 10 H4* A 10 -8.511 10.130 -14.154
103 H3* A 10 H3* A 10 -8.645 12.880 -12.879
104 H2* A 10 1H2* A 10 -9.355 11.924 -10.858
105 2HO* A 10 2HO* A 10 -10.270 9.929 -10.709
106 H1* A 10 H1* A 10 -7.710 9.708 -10.921
107 H8 A 10 H8 A 10 -5.495 12.452 -11.926
108 1H6 A 10 1H6 A 10 -5.297 14.382 -6.086
109 2H6 A 10 2H6 A 10 -4.579 14.540 -7.673
110 H2 A 10 H2 A 10 -8.605 11.364 -6.448
111 1H5* U 11 1H5* U 11 -11.843 11.233 -11.204
112 2H5* U 11 2H5* U 11 -13.275 11.906 -12.009
113 H4* U 11 H4* U 11 -13.593 11.830 -9.560
114 H3* U 11 H3* U 11 -14.221 13.955 -11.141
115 H2* U 11 1H2* U 11 -12.215 15.162 -10.897
116 2HO* U 11 2HO* U 11 -14.103 15.939 -8.956
117 H1* U 11 H1* U 11 -12.088 14.641 -7.933
118 H3 U 11 H3 U 11 -8.004 16.465 -7.709
119 H5 U 11 H5 U 11 -7.946 14.573 -11.472
120 H6 U 11 H6 U 11 -10.237 13.879 -11.088
121 1H5* U 12 1H5* U 12 -17.979 13.817 -7.485
122 2H5* U 12 2H5* U 12 -17.900 15.221 -6.408
123 H4* U 12 H4* U 12 -16.554 12.680 -6.189
124 H3* U 12 H3* U 12 -17.680 14.502 -4.510
125 H2* U 12 1H2* U 12 -16.118 16.199 -4.690
126 2HO* U 12 2HO* U 12 -14.397 14.952 -2.933
127 H1* U 12 H1* U 12 -13.745 14.353 -4.694
128 H3 U 12 H3 U 12 -11.203 17.949 -5.523
129 H5 U 12 H5 U 12 -14.482 18.519 -8.106
130 H6 U 12 H6 U 12 -15.479 16.511 -7.182
131 1H5* A 13 1H5* A 13 -18.385 11.361 -5.264
132 2H5* A 13 2H5* A 13 -19.250 10.020 -4.485
133 H4* A 13 H4* A 13 -17.960 8.930 -6.118
134 H3* A 13 H3* A 13 -17.288 8.507 -3.449
135 H2* A 13 1H2* A 13 -15.278 9.652 -3.396
136 2HO* A 13 2HO* A 13 -14.037 7.972 -3.166
137 H1* A 13 H1* A 13 -14.587 8.993 -6.251
138 H8 A 13 H8 A 13 -15.082 11.925 -3.773
139 1H6 A 13 1H6 A 13 -9.651 13.982 -5.800
140 2H6 A 13 2H6 A 13 -10.942 14.242 -4.647
141 H2 A 13 H2 A 13 -10.746 10.327 -8.161
142 1H5* G 14 1H5* G 14 -16.522 4.126 -6.162
143 2H5* G 14 2H5* G 14 -14.836 3.573 -6.006
144 H4* G 14 H4* G 14 -16.024 5.337 -7.936
145 H3* G 14 H3* G 14 -13.218 4.376 -7.300
146 H2* G 14 1H2* G 14 -12.353 5.882 -8.854
147 2HO* G 14 2HO* G 14 -13.745 7.007 -10.343
148 H1* G 14 H1* G 14 -14.035 7.990 -8.297
149 H8 G 14 H8 G 14 -13.219 7.365 -4.985
150 H1 G 14 H1 G 14 -7.749 8.392 -8.088
151 1H2 G 14 1H2 G 14 -9.635 7.748 -10.947
152 2H2 G 14 2H2 G 14 -8.074 8.146 -10.268
153 1H5* G 15 1H5* G 15 -13.303 3.001 -11.526
154 2H5* G 15 2H5* G 15 -12.680 1.331 -11.507
155 H4* G 15 H4* G 15 -11.386 2.878 -12.984
156 H3* G 15 H3* G 15 -10.049 1.767 -10.494
157 H2* G 15 1H2* G 15 -8.032 2.780 -11.158
158 2HO* G 15 2HO* G 15 -7.908 3.830 -13.268
159 H1* G 15 H1* G 15 -9.127 5.163 -11.959
160 H8 G 15 H8 G 15 -10.961 4.346 -8.865
161 H1 G 15 H1 G 15 -4.917 5.905 -7.590
162 1H2 G 15 1H2 G 15 -4.420 5.530 -11.017
163 2H2 G 15 2H2 G 15 -3.723 5.909 -9.458
164 1H5* G 16 1H5* G 16 -7.650 1.436 -13.762
165 2H5* G 16 2H5* G 16 -6.841 -0.137 -13.986
166 H4* G 16 H4* G 16 -5.333 1.869 -14.186
167 H3* G 16 H3* G 16 -4.924 -0.124 -11.934
168 H2* G 16 1H2* G 16 -2.999 1.038 -11.273
169 2HO* G 16 2HO* G 16 -2.380 1.318 -13.632
170 H1* G 16 H1* G 16 -3.984 3.584 -11.685
171 H8 G 16 H8 G 16 -6.735 1.890 -9.959
172 H1 G 16 H1 G 16 -1.803 2.695 -6.008
173 1H2 G 16 1H2 G 16 0.007 3.399 -8.904
174 2H2 G 16 2H2 G 16 0.014 3.232 -7.163
175 1H5* A 17 1H5* A 17 -1.242 -0.284 -13.790
176 2H5* A 17 2H5* A 17 -0.618 -1.938 -13.953
177 H4* A 17 H4* A 17 0.935 -0.596 -12.621
178 H3* A 17 H3* A 17 -0.680 -2.707 -11.160
179 H2* A 17 1H2* A 17 0.466 -2.214 -9.172
180 2HO* A 17 2HO* A 17 2.442 -1.372 -9.124
181 H1* A 17 H1* A 17 0.480 0.521 -9.465
182 H8 A 17 H8 A 17 -2.874 -0.807 -10.532
183 1H6 A 17 1H6 A 17 -4.457 -0.946 -4.587
184 2H6 A 17 2H6 A 17 -5.042 -1.073 -6.232
185 H2 A 17 H2 A 17 -0.036 -0.191 -4.832
186 1H5* U 18 1H5* U 18 3.339 -3.089 -10.124
187 2H5* U 18 2H5* U 18 3.921 -4.766 -10.189
188 H4* U 18 H4* U 18 4.537 -3.818 -8.039
189 H3* U 18 H3* U 18 2.238 -5.796 -8.008
190 H2* U 18 1H2* U 18 2.123 -5.642 -5.670
191 2HO* U 18 2HO* U 18 4.742 -5.274 -5.856
192 H1* U 18 H1* U 18 2.547 -2.920 -5.492
193 H3 U 18 H3 U 18 -1.747 -3.397 -4.167
194 H5 U 18 H5 U 18 -1.883 -4.189 -8.303
195 H6 U 18 H6 U 18 0.538 -4.078 -8.339
196 1H5* C 19 1H5* C 19 4.925 -7.721 -5.461
197 2H5* C 19 2H5* C 19 5.020 -9.470 -5.756
198 H4* C 19 H4* C 19 4.264 -9.073 -3.468
199 H3* C 19 H3* C 19 2.180 -10.085 -5.429
200 H2* C 19 1H2* C 19 0.614 -10.219 -3.691
201 2HO* C 19 2HO* C 19 1.155 -10.319 -1.566
202 H1* C 19 H1* C 19 1.338 -7.878 -2.413
203 1H4 C 19 1H4 C 19 -2.776 -6.472 -7.422
204 2H4 C 19 2H4 C 19 -3.773 -6.558 -5.986
205 H5 C 19 H5 C 19 -0.421 -6.980 -7.424
206 H6 C 19 H6 C 19 1.481 -7.694 -6.056
207 1H5* U 20 1H5* U 20 1.999 -12.848 -2.149
208 2H5* U 20 2H5* U 20 1.618 -14.474 -2.754
209 H4* U 20 H4* U 20 -0.076 -13.640 -1.124
210 H3* U 20 H3* U 20 -0.883 -14.098 -4.015
211 H2* U 20 1H2* U 20 -3.108 -13.602 -3.453
212 2HO* U 20 2HO* U 20 -3.577 -13.243 -1.094
213 H1* U 20 H1* U 20 -2.550 -11.509 -1.739
214 H3 U 20 H3 U 20 -4.603 -9.518 -5.247
215 H5 U 20 H5 U 20 -0.865 -10.673 -6.802
216 H6 U 20 H6 U 20 -0.417 -11.816 -4.711
217 1H5* C 21 1H5* C 21 -3.724 -16.021 -1.605
218 2H5* C 21 2H5* C 21 -4.242 -17.569 -2.305
219 H4* C 21 H4* C 21 -6.174 -16.082 -1.905
220 H3* C 21 H3* C 21 -5.391 -16.681 -4.779
221 H2* C 21 1H2* C 21 -7.260 -15.476 -5.529
222 2HO* C 21 2HO* C 21 -8.232 -15.267 -2.858
223 H1* C 21 H1* C 21 -7.112 -13.435 -3.667
224 1H4 C 21 1H4 C 21 -3.039 -12.112 -8.734
225 2H4 C 21 2H4 C 21 -4.447 -11.098 -8.951
226 H5 C 21 H5 C 21 -2.847 -13.744 -6.974
227 H6 C 21 H6 C 21 -3.958 -14.755 -5.040
228 H3T C 21 H3T C 21 -7.466 -17.903 -4.418
Start of MODEL 7
1 1H5* G 1 1H5* G 1 -15.092 -7.319 -8.595
2 2H5* G 1 2H5* G 1 -13.719 -8.228 -9.278
3 H4* G 1 H4* G 1 -16.158 -9.502 -7.967
4 H3* G 1 H3* G 1 -13.550 -8.504 -6.786
5 H2* G 1 1H2* G 1 -13.503 -10.352 -5.331
6 2HO* G 1 2HO* G 1 -16.199 -10.842 -6.150
7 H1* G 1 H1* G 1 -14.296 -12.232 -7.169
8 H8 G 1 H8 G 1 -11.986 -10.277 -9.195
9 H1 G 1 H1 G 1 -8.804 -13.223 -4.522
10 1H2 G 1 1H2 G 1 -11.955 -13.769 -3.137
11 2H2 G 1 2H2 G 1 -10.226 -13.986 -2.999
12 H5T G 1 H5T G 1 -15.423 -7.625 -10.786
13 1H5* G 2 1H5* G 2 -15.508 -9.895 -3.496
14 2H5* G 2 2H5* G 2 -15.884 -8.496 -2.457
15 H4* G 2 H4* G 2 -15.016 -10.248 -1.053
16 H3* G 2 H3* G 2 -12.927 -8.161 -1.756
17 H2* G 2 1H2* G 2 -11.403 -9.251 -0.324
18 2HO* G 2 2HO* G 2 -12.177 -11.085 0.971
19 H1* G 2 H1* G 2 -12.025 -11.802 -1.121
20 H8 G 2 H8 G 2 -12.050 -9.615 -4.165
21 H1 G 2 H1 G 2 -6.131 -10.978 -2.239
22 1H2 G 2 1H2 G 2 -7.676 -12.184 0.645
23 2H2 G 2 2H2 G 2 -6.182 -11.901 -0.221
24 1H5* G 3 1H5* G 3 -12.497 -8.551 2.143
25 2H5* G 3 2H5* G 3 -12.332 -7.017 3.037
26 H4* G 3 H4* G 3 -10.408 -8.530 3.397
27 H3* G 3 H3* G 3 -9.917 -6.044 1.720
28 H2* G 3 1H2* G 3 -7.627 -6.573 1.682
29 2HO* G 3 2HO* G 3 -8.162 -8.562 3.667
30 H1* G 3 H1* G 3 -7.949 -9.298 1.349
31 H8 G 3 H8 G 3 -10.360 -7.628 -0.953
32 H1 G 3 H1 G 3 -4.365 -7.156 -3.066
33 1H2 G 3 1H2 G 3 -3.484 -8.272 0.117
34 2H2 G 3 2H2 G 3 -2.948 -7.755 -1.466
35 1H5* A 4 1H5* A 4 -7.236 -5.639 5.343
36 2H5* A 4 2H5* A 4 -6.929 -3.906 5.580
37 H4* A 4 H4* A 4 -4.856 -5.331 5.210
38 H3* A 4 H3* A 4 -5.567 -3.046 3.331
39 H2* A 4 1H2* A 4 -3.470 -3.360 2.280
40 2HO* A 4 2HO* A 4 -2.407 -5.431 3.594
41 H1* A 4 H1* A 4 -3.631 -6.093 2.184
42 H8 A 4 H8 A 4 -7.039 -4.618 1.512
43 1H6 A 4 1H6 A 4 -5.228 -3.660 -4.295
44 2H6 A 4 2H6 A 4 -6.590 -3.643 -3.197
45 H2 A 4 H2 A 4 -1.636 -4.904 -1.902
46 1H5* U 5 1H5* U 5 -1.546 -2.408 4.731
47 2H5* U 5 2H5* U 5 -1.127 -0.683 4.692
48 H4* U 5 H4* U 5 0.294 -2.248 3.231
49 H3* U 5 H3* U 5 -1.171 0.178 2.138
50 H2* U 5 1H2* U 5 -0.151 -0.195 0.055
51 2HO* U 5 2HO* U 5 1.529 -2.133 1.315
52 H1* U 5 H1* U 5 -0.374 -2.950 0.087
53 H3 U 5 H3 U 5 -2.958 -1.250 -3.290
54 H5 U 5 H5 U 5 -5.286 -0.828 0.197
55 H6 U 5 H6 U 5 -3.346 -1.485 1.496
56 1H5* C 6 1H5* C 6 3.014 0.142 1.071
57 2H5* C 6 2H5* C 6 3.717 1.771 1.126
58 H4* C 6 H4* C 6 4.233 0.647 -1.013
59 H3* C 6 H3* C 6 2.340 3.019 -1.059
60 H2* C 6 1H2* C 6 2.276 2.906 -3.399
61 2HO* C 6 2HO* C 6 3.968 0.909 -3.992
62 H1* C 6 H1* C 6 2.217 0.150 -3.598
63 1H4 C 6 1H4 C 6 -3.930 2.414 -2.543
64 2H4 C 6 2H4 C 6 -3.807 2.122 -4.264
65 H5 C 6 H5 C 6 -2.076 2.170 -1.029
66 H6 C 6 H6 C 6 0.297 1.598 -0.831
67 1H5* A 7 1H5* A 7 5.738 3.935 -3.921
68 2H5* A 7 2H5* A 7 6.101 5.652 -3.653
69 H4* A 7 H4* A 7 5.778 5.205 -6.052
70 H3* A 7 H3* A 7 3.663 6.833 -4.609
71 H2* A 7 1H2* A 7 2.513 7.149 -6.629
72 2HO* A 7 2HO* A 7 4.209 7.681 -7.999
73 H1* A 7 H1* A 7 2.877 4.604 -7.633
74 H8 A 7 H8 A 7 2.020 4.818 -3.911
75 1H6 A 7 1H6 A 7 -3.891 4.590 -5.612
76 2H6 A 7 2H6 A 7 -2.786 4.552 -4.256
77 H2 A 7 H2 A 7 -1.389 5.001 -9.323
78 1H5* C 8 1H5* C 8 3.941 11.124 -6.925
79 2H5* C 8 2H5* C 8 2.289 11.063 -6.282
80 H4* C 8 H4* C 8 3.350 10.138 -8.902
81 H3* C 8 H3* C 8 0.733 11.157 -7.751
82 H2* C 8 1H2* C 8 -0.425 10.242 -9.581
83 2HO* C 8 2HO* C 8 2.093 9.682 -10.811
84 H1* C 8 H1* C 8 0.946 7.864 -9.685
85 1H4 C 8 1H4 C 8 -3.492 7.317 -4.808
86 2H4 C 8 2H4 C 8 -4.460 7.209 -6.260
87 H5 C 8 H5 C 8 -1.140 7.810 -4.828
88 H6 C 8 H6 C 8 0.783 8.392 -6.230
89 1H5* C 9 1H5* C 9 0.593 12.574 -11.906
90 2H5* C 9 2H5* C 9 -0.540 13.940 -11.954
91 H4* C 9 H4* C 9 -1.178 11.722 -13.187
92 H3* C 9 H3* C 9 -2.956 13.301 -11.300
93 H2* C 9 1H2* C 9 -4.706 11.793 -11.703
94 2HO* C 9 2HO* C 9 -3.277 11.304 -14.054
95 H1* C 9 H1* C 9 -3.176 9.491 -11.752
96 1H4 C 9 1H4 C 9 -4.549 10.831 -5.422
97 2H4 C 9 2H4 C 9 -5.923 9.914 -5.999
98 H5 C 9 H5 C 9 -2.768 11.583 -6.857
99 H6 C 9 H6 C 9 -1.913 11.614 -9.153
100 1H5* A 10 1H5* A 10 -5.785 12.626 -14.082
101 2H5* A 10 2H5* A 10 -6.954 13.960 -13.993
102 H4* A 10 H4* A 10 -7.698 11.677 -13.035
103 H3* A 10 H3* A 10 -7.795 14.311 -11.530
104 H2* A 10 1H2* A 10 -8.786 13.234 -9.685
105 2HO* A 10 2HO* A 10 -9.529 11.042 -9.852
106 H1* A 10 H1* A 10 -7.224 10.974 -9.743
107 H8 A 10 H8 A 10 -4.970 13.866 -10.463
108 1H6 A 10 1H6 A 10 -4.866 15.062 -4.425
109 2H6 A 10 2H6 A 10 -4.144 15.436 -5.973
110 H2 A 10 H2 A 10 -8.084 12.019 -5.189
111 1H5* U 11 1H5* U 11 -11.145 12.498 -10.577
112 2H5* U 11 2H5* U 11 -12.549 13.276 -11.337
113 H4* U 11 H4* U 11 -13.051 12.664 -9.004
114 H3* U 11 H3* U 11 -13.626 15.075 -10.140
115 H2* U 11 1H2* U 11 -11.735 16.255 -9.439
116 2HO* U 11 2HO* U 11 -13.758 17.125 -8.416
117 H1* U 11 H1* U 11 -11.787 15.070 -6.672
118 H3 U 11 H3 U 11 -7.747 16.719 -5.687
119 H5 U 11 H5 U 11 -7.484 16.118 -9.848
120 H6 U 11 H6 U 11 -9.759 15.284 -9.808
121 1H5* U 12 1H5* U 12 -17.475 15.311 -6.122
122 2H5* U 12 2H5* U 12 -15.860 15.704 -6.733
123 H4* U 12 H4* U 12 -16.061 12.934 -5.832
124 H3* U 12 H3* U 12 -17.556 14.557 -4.236
125 H2* U 12 1H2* U 12 -15.977 16.189 -3.780
126 2HO* U 12 2HO* U 12 -15.333 14.145 -1.885
127 H1* U 12 H1* U 12 -13.710 14.233 -3.471
128 H3 U 12 H3 U 12 -10.810 17.617 -3.238
129 H5 U 12 H5 U 12 -13.603 19.019 -6.063
130 H6 U 12 H6 U 12 -14.852 16.967 -5.752
131 1H5* A 13 1H5* A 13 -18.987 10.870 -6.701
132 2H5* A 13 2H5* A 13 -19.022 10.021 -5.144
133 H4* A 13 H4* A 13 -17.189 9.547 -7.134
134 H3* A 13 H3* A 13 -17.508 8.890 -4.317
135 H2* A 13 1H2* A 13 -15.477 9.682 -3.635
136 2HO* A 13 2HO* A 13 -14.679 7.576 -5.386
137 H1* A 13 H1* A 13 -14.379 9.700 -6.451
138 H8 A 13 H8 A 13 -15.007 11.917 -3.343
139 1H6 A 13 1H6 A 13 -9.228 13.873 -4.101
140 2H6 A 13 2H6 A 13 -10.635 13.934 -3.062
141 H2 A 13 H2 A 13 -10.256 11.127 -7.500
142 1H5* G 14 1H5* G 14 -14.699 4.254 -6.370
143 2H5* G 14 2H5* G 14 -14.631 5.670 -5.288
144 H4* G 14 H4* G 14 -15.565 6.136 -8.098
145 H3* G 14 H3* G 14 -12.799 5.124 -7.379
146 H2* G 14 1H2* G 14 -11.830 6.635 -8.870
147 2HO* G 14 2HO* G 14 -13.798 7.920 -10.063
148 H1* G 14 H1* G 14 -13.456 8.786 -8.319
149 H8 G 14 H8 G 14 -12.865 7.874 -4.986
150 H1 G 14 H1 G 14 -7.220 9.089 -7.680
151 1H2 G 14 1H2 G 14 -8.955 8.785 -10.689
152 2H2 G 14 2H2 G 14 -7.428 9.083 -9.890
153 1H5* G 15 1H5* G 15 -12.937 4.884 -11.451
154 2H5* G 15 2H5* G 15 -12.795 3.228 -12.096
155 H4* G 15 H4* G 15 -11.344 4.659 -13.381
156 H3* G 15 H3* G 15 -9.896 3.050 -11.257
157 H2* G 15 1H2* G 15 -7.841 3.926 -11.990
158 2HO* G 15 2HO* G 15 -9.146 5.168 -14.201
159 H1* G 15 H1* G 15 -8.699 6.511 -12.342
160 H8 G 15 H8 G 15 -10.291 5.226 -9.209
161 H1 G 15 H1 G 15 -4.131 6.629 -8.368
162 1H2 G 15 1H2 G 15 -4.029 6.857 -11.847
163 2H2 G 15 2H2 G 15 -3.158 6.975 -10.335
164 1H5* G 16 1H5* G 16 -7.476 2.832 -14.227
165 2H5* G 16 2H5* G 16 -7.310 1.182 -14.883
166 H4* G 16 H4* G 16 -5.105 2.128 -14.662
167 H3* G 16 H3* G 16 -5.824 0.274 -12.364
168 H2* G 16 1H2* G 16 -3.635 0.519 -11.543
169 2HO* G 16 2HO* G 16 -2.814 0.455 -13.889
170 H1* G 16 H1* G 16 -3.421 3.226 -12.055
171 H8 G 16 H8 G 16 -6.788 2.823 -10.599
172 H1 G 16 H1 G 16 -2.272 1.994 -6.176
173 1H2 G 16 1H2 G 16 -0.089 1.776 -8.887
174 2H2 G 16 2H2 G 16 -0.296 1.727 -7.150
175 1H5* A 17 1H5* A 17 -2.509 -1.503 -14.275
176 2H5* A 17 2H5* A 17 -2.262 -3.229 -13.937
177 H4* A 17 H4* A 17 -0.547 -1.626 -12.918
178 H3* A 17 H3* A 17 -2.179 -3.581 -11.269
179 H2* A 17 1H2* A 17 -0.995 -2.934 -9.350
180 2HO* A 17 2HO* A 17 0.986 -2.040 -9.396
181 H1* A 17 H1* A 17 -0.876 -0.232 -9.924
182 H8 A 17 H8 A 17 -4.361 -1.284 -10.667
183 1H6 A 17 1H6 A 17 -5.514 -1.276 -4.618
184 2H6 A 17 2H6 A 17 -6.227 -1.359 -6.212
185 H2 A 17 H2 A 17 -1.072 -0.936 -5.191
186 1H5* U 18 1H5* U 18 1.925 -3.716 -10.538
187 2H5* U 18 2H5* U 18 2.633 -5.344 -10.578
188 H4* U 18 H4* U 18 3.517 -4.234 -8.632
189 H3* U 18 H3* U 18 1.306 -6.228 -8.052
190 H2* U 18 1H2* U 18 1.590 -5.865 -5.744
191 2HO* U 18 2HO* U 18 3.621 -5.670 -5.153
192 H1* U 18 H1* U 18 1.844 -3.137 -5.885
193 H3 U 18 H3 U 18 -2.237 -3.701 -4.011
194 H5 U 18 H5 U 18 -2.792 -4.938 -7.999
195 H6 U 18 H6 U 18 -0.407 -4.682 -8.344
196 1H5* C 19 1H5* C 19 4.368 -7.500 -5.770
197 2H5* C 19 2H5* C 19 4.540 -9.249 -5.527
198 H4* C 19 H4* C 19 4.040 -8.106 -3.398
199 H3* C 19 H3* C 19 1.874 -9.881 -4.579
200 H2* C 19 1H2* C 19 0.607 -9.557 -2.623
201 2HO* C 19 2HO* C 19 2.950 -8.385 -1.473
202 H1* C 19 H1* C 19 1.183 -6.868 -2.337
203 1H4 C 19 1H4 C 19 -3.781 -7.480 -6.680
204 2H4 C 19 2H4 C 19 -4.544 -7.296 -5.117
205 H5 C 19 H5 C 19 -1.399 -7.692 -6.969
206 H6 C 19 H6 C 19 0.766 -7.766 -5.825
207 1H5* U 20 1H5* U 20 2.178 -11.034 -0.823
208 2H5* U 20 2H5* U 20 2.195 -12.789 -0.553
209 H4* U 20 H4* U 20 0.357 -11.817 0.711
210 H3* U 20 H3* U 20 -0.425 -13.357 -1.787
211 H2* U 20 1H2* U 20 -2.686 -13.057 -1.239
212 2HO* U 20 2HO* U 20 -3.306 -12.223 0.837
213 H1* U 20 H1* U 20 -2.457 -10.449 -0.350
214 H3 U 20 H3 U 20 -5.007 -10.279 -4.105
215 H5 U 20 H5 U 20 -1.097 -10.904 -5.537
216 H6 U 20 H6 U 20 -0.372 -11.209 -3.244
217 1H5* C 21 1H5* C 21 -2.876 -14.631 1.370
218 2H5* C 21 2H5* C 21 -2.764 -16.395 1.531
219 H4* C 21 H4* C 21 -5.097 -15.884 1.586
220 H3* C 21 H3* C 21 -4.156 -16.848 -1.135
221 H2* C 21 1H2* C 21 -6.363 -16.745 -1.925
222 2HO* C 21 2HO* C 21 -7.764 -17.521 -0.526
223 H1* C 21 H1* C 21 -7.073 -14.406 -0.630
224 1H4 C 21 1H4 C 21 -3.962 -12.991 -6.323
225 2H4 C 21 2H4 C 21 -5.659 -12.655 -6.581
226 H5 C 21 H5 C 21 -3.097 -13.921 -4.274
227 H6 C 21 H6 C 21 -3.674 -14.737 -2.038
228 H3T C 21 H3T C 21 -5.427 -17.927 1.170
Start of MODEL 8
1 1H5* G 1 1H5* G 1 -14.514 -4.548 -8.798
2 2H5* G 1 2H5* G 1 -13.518 -5.647 -9.788
3 H4* G 1 H4* G 1 -16.206 -6.512 -8.686
4 H3* G 1 H3* G 1 -13.585 -6.221 -7.189
5 H2* G 1 1H2* G 1 -13.995 -8.246 -6.066
6 2HO* G 1 2HO* G 1 -16.393 -9.007 -7.023
7 H1* G 1 H1* G 1 -14.964 -9.635 -8.233
8 H8 G 1 H8 G 1 -12.187 -8.049 -9.880
9 H1 G 1 H1 G 1 -9.966 -11.898 -5.309
10 1H2 G 1 1H2 G 1 -13.244 -11.878 -4.124
11 2H2 G 1 2H2 G 1 -11.605 -12.455 -3.921
12 H5T G 1 H5T G 1 -15.991 -4.452 -10.346
13 1H5* G 2 1H5* G 2 -15.724 -7.864 -4.255
14 2H5* G 2 2H5* G 2 -16.093 -6.546 -3.113
15 H4* G 2 H4* G 2 -15.405 -8.416 -1.795
16 H3* G 2 H3* G 2 -13.135 -6.470 -2.297
17 H2* G 2 1H2* G 2 -11.699 -7.781 -0.985
18 2HO* G 2 2HO* G 2 -12.412 -8.883 0.677
19 H1* G 2 H1* G 2 -12.584 -10.240 -1.874
20 H8 G 2 H8 G 2 -12.287 -7.911 -4.805
21 H1 G 2 H1 G 2 -6.633 -10.154 -2.910
22 1H2 G 2 1H2 G 2 -8.363 -11.292 -0.107
23 2H2 G 2 2H2 G 2 -6.833 -11.167 -0.947
24 1H5* G 3 1H5* G 3 -11.941 -4.333 2.537
25 2H5* G 3 2H5* G 3 -11.291 -4.417 0.878
26 H4* G 3 H4* G 3 -10.930 -6.347 3.214
27 H3* G 3 H3* G 3 -9.139 -4.557 1.545
28 H2* G 3 1H2* G 3 -7.358 -6.064 1.830
29 2HO* G 3 2HO* G 3 -7.617 -6.488 4.053
30 H1* G 3 H1* G 3 -8.822 -8.365 1.482
31 H8 G 3 H8 G 3 -10.235 -6.283 -1.153
32 H1 G 3 H1 G 3 -4.132 -7.581 -2.446
33 1H2 G 3 1H2 G 3 -3.962 -8.605 0.881
34 2H2 G 3 2H2 G 3 -3.127 -8.388 -0.641
35 1H5* A 4 1H5* A 4 -6.864 -4.656 5.045
36 2H5* A 4 2H5* A 4 -6.103 -3.091 5.397
37 H4* A 4 H4* A 4 -4.426 -4.860 4.904
38 H3* A 4 H3* A 4 -4.737 -2.516 3.005
39 H2* A 4 1H2* A 4 -2.938 -3.310 1.723
40 2HO* A 4 2HO* A 4 -2.378 -4.938 3.994
41 H1* A 4 H1* A 4 -3.611 -5.976 1.818
42 H8 A 4 H8 A 4 -6.767 -4.017 1.326
43 1H6 A 4 1H6 A 4 -5.320 -3.536 -4.638
44 2H6 A 4 2H6 A 4 -6.575 -3.297 -3.442
45 H2 A 4 H2 A 4 -1.742 -5.168 -2.465
46 1H5* U 5 1H5* U 5 -0.532 -2.686 4.248
47 2H5* U 5 2H5* U 5 0.150 -1.048 4.311
48 H4* U 5 H4* U 5 1.400 -2.628 2.792
49 H3* U 5 H3* U 5 0.076 -0.120 1.710
50 H2* U 5 1H2* U 5 0.975 -0.569 -0.410
51 2HO* U 5 2HO* U 5 2.727 -1.827 -0.744
52 H1* U 5 H1* U 5 0.599 -3.308 -0.358
53 H3 U 5 H3 U 5 -2.122 -1.687 -3.626
54 H5 U 5 H5 U 5 -4.101 -0.723 -0.032
55 H6 U 5 H6 U 5 -2.138 -1.473 1.177
56 1H5* C 6 1H5* C 6 3.862 -0.374 -0.020
57 2H5* C 6 2H5* C 6 4.777 1.080 0.426
58 H4* C 6 H4* C 6 5.123 0.835 -1.914
59 H3* C 6 H3* C 6 2.915 2.818 -1.280
60 H2* C 6 1H2* C 6 2.672 3.277 -3.564
61 2HO* C 6 2HO* C 6 5.144 3.192 -3.778
62 H1* C 6 H1* C 6 2.987 0.680 -4.461
63 1H4 C 6 1H4 C 6 -3.298 1.661 -2.564
64 2H4 C 6 2H4 C 6 -3.302 1.637 -4.313
65 H5 C 6 H5 C 6 -1.289 1.513 -1.246
66 H6 C 6 H6 C 6 1.150 1.303 -1.318
67 1H5* A 7 1H5* A 7 5.628 7.745 -1.816
68 2H5* A 7 2H5* A 7 4.052 7.048 -1.391
69 H4* A 7 H4* A 7 5.595 6.667 -3.989
70 H3* A 7 H3* A 7 3.030 8.061 -3.165
71 H2* A 7 1H2* A 7 2.065 7.553 -5.241
72 2HO* A 7 2HO* A 7 3.272 6.902 -7.022
73 H1* A 7 H1* A 7 3.093 4.997 -5.476
74 H8 A 7 H8 A 7 1.878 5.542 -1.957
75 1H6 A 7 1H6 A 7 -3.805 4.281 -3.967
76 2H6 A 7 2H6 A 7 -2.810 4.544 -2.552
77 H2 A 7 H2 A 7 -1.129 4.731 -7.546
78 1H5* C 8 1H5* C 8 2.164 11.839 -6.584
79 2H5* C 8 2H5* C 8 1.353 10.500 -5.746
80 H4* C 8 H4* C 8 2.466 10.265 -8.568
81 H3* C 8 H3* C 8 -0.249 11.147 -7.542
82 H2* C 8 1H2* C 8 -1.301 9.982 -9.286
83 2HO* C 8 2HO* C 8 0.451 10.765 -10.823
84 H1* C 8 H1* C 8 0.343 7.760 -9.255
85 1H4 C 8 1H4 C 8 -4.167 6.823 -4.520
86 2H4 C 8 2H4 C 8 -5.011 6.423 -5.999
87 H5 C 8 H5 C 8 -1.958 7.775 -4.479
88 H6 C 8 H6 C 8 -0.077 8.553 -5.841
89 1H5* C 9 1H5* C 9 -2.714 13.685 -11.207
90 2H5* C 9 2H5* C 9 -3.022 13.146 -9.543
91 H4* C 9 H4* C 9 -3.335 11.543 -12.108
92 H3* C 9 H3* C 9 -5.169 12.569 -9.920
93 H2* C 9 1H2* C 9 -6.553 10.695 -10.191
94 2HO* C 9 2HO* C 9 -6.832 9.842 -12.099
95 H1* C 9 H1* C 9 -4.546 8.832 -10.520
96 1H4 C 9 1H4 C 9 -5.202 9.789 -4.014
97 2H4 C 9 2H4 C 9 -6.582 8.799 -4.433
98 H5 C 9 H5 C 9 -3.712 10.736 -5.652
99 H6 C 9 H6 C 9 -3.210 10.925 -8.042
100 1H5* A 10 1H5* A 10 -8.189 11.982 -12.415
101 2H5* A 10 2H5* A 10 -9.526 13.060 -11.965
102 H4* A 10 H4* A 10 -9.671 10.577 -11.223
103 H3* A 10 H3* A 10 -10.031 12.983 -9.409
104 H2* A 10 1H2* A 10 -10.497 11.560 -7.598
105 2HO* A 10 2HO* A 10 -10.802 9.509 -9.564
106 H1* A 10 H1* A 10 -8.603 9.641 -8.173
107 H8 A 10 H8 A 10 -6.888 12.878 -8.719
108 1H6 A 10 1H6 A 10 -6.359 13.489 -2.614
109 2H6 A 10 2H6 A 10 -5.846 14.110 -4.168
110 H2 A 10 H2 A 10 -9.203 10.107 -3.438
111 1H5* U 11 1H5* U 11 -12.898 10.499 -8.330
112 2H5* U 11 2H5* U 11 -14.494 11.064 -8.865
113 H4* U 11 H4* U 11 -14.624 10.127 -6.591
114 H3* U 11 H3* U 11 -15.756 12.485 -7.345
115 H2* U 11 1H2* U 11 -14.027 13.932 -6.681
116 2HO* U 11 2HO* U 11 -15.971 14.440 -5.455
117 H1* U 11 H1* U 11 -13.577 12.468 -4.089
118 H3 U 11 H3 U 11 -9.927 14.932 -3.269
119 H5 U 11 H5 U 11 -9.748 14.403 -7.445
120 H6 U 11 H6 U 11 -11.838 13.181 -7.315
121 1H5* U 12 1H5* U 12 -19.047 10.293 -3.971
122 2H5* U 12 2H5* U 12 -19.255 11.225 -2.478
123 H4* U 12 H4* U 12 -17.342 9.166 -3.077
124 H3* U 12 H3* U 12 -18.723 10.047 -0.902
125 H2* U 12 1H2* U 12 -17.589 12.027 -0.511
126 2HO* U 12 2HO* U 12 -16.001 10.029 0.773
127 H1* U 12 H1* U 12 -14.876 10.878 -1.107
128 H3 U 12 H3 U 12 -13.214 15.020 -0.769
129 H5 U 12 H5 U 12 -16.790 15.638 -2.909
130 H6 U 12 H6 U 12 -17.251 13.266 -2.698
131 1H5* A 13 1H5* A 13 -18.829 7.498 -2.551
132 2H5* A 13 2H5* A 13 -19.418 5.825 -2.465
133 H4* A 13 H4* A 13 -17.952 5.701 -4.273
134 H3* A 13 H3* A 13 -17.063 4.510 -1.890
135 H2* A 13 1H2* A 13 -15.262 5.893 -1.455
136 2HO* A 13 2HO* A 13 -14.039 4.165 -1.945
137 H1* A 13 H1* A 13 -14.769 6.482 -4.370
138 H8 A 13 H8 A 13 -15.505 8.187 -0.976
139 1H6 A 13 1H6 A 13 -10.655 11.762 -2.225
140 2H6 A 13 2H6 A 13 -11.872 11.367 -1.032
141 H2 A 13 H2 A 13 -11.333 9.024 -5.718
142 1H5* G 14 1H5* G 14 -14.122 1.196 -5.676
143 2H5* G 14 2H5* G 14 -13.990 2.329 -4.305
144 H4* G 14 H4* G 14 -15.553 3.160 -6.750
145 H3* G 14 H3* G 14 -12.553 2.732 -6.618
146 H2* G 14 1H2* G 14 -12.194 4.716 -7.788
147 2HO* G 14 2HO* G 14 -14.987 4.744 -8.402
148 H1* G 14 H1* G 14 -14.141 6.229 -6.573
149 H8 G 14 H8 G 14 -12.895 5.025 -3.601
150 H1 G 14 H1 G 14 -8.009 7.737 -6.661
151 1H2 G 14 1H2 G 14 -10.037 7.425 -9.484
152 2H2 G 14 2H2 G 14 -8.505 7.945 -8.818
153 1H5* G 15 1H5* G 15 -13.228 2.506 -10.973
154 2H5* G 15 2H5* G 15 -12.527 0.989 -11.593
155 H4* G 15 H4* G 15 -11.714 2.940 -12.855
156 H3* G 15 H3* G 15 -9.746 1.594 -10.979
157 H2* G 15 1H2* G 15 -8.054 3.054 -11.707
158 2HO* G 15 2HO* G 15 -9.853 3.787 -13.806
159 H1* G 15 H1* G 15 -9.577 5.337 -11.748
160 H8 G 15 H8 G 15 -10.640 3.581 -8.672
161 H1 G 15 H1 G 15 -4.758 5.952 -8.038
162 1H2 G 15 1H2 G 15 -4.898 6.400 -11.492
163 2H2 G 15 2H2 G 15 -3.970 6.569 -10.019
164 1H5* G 16 1H5* G 16 -7.392 2.480 -14.007
165 2H5* G 16 2H5* G 16 -6.897 0.969 -14.811
166 H4* G 16 H4* G 16 -4.935 2.331 -14.531
167 H3* G 16 H3* G 16 -5.197 0.181 -12.404
168 H2* G 16 1H2* G 16 -3.133 0.833 -11.511
169 2HO* G 16 2HO* G 16 -1.660 2.103 -12.628
170 H1* G 16 H1* G 16 -3.476 3.556 -11.820
171 H8 G 16 H8 G 16 -6.683 2.436 -10.433
172 H1 G 16 H1 G 16 -2.061 1.964 -6.074
173 1H2 G 16 1H2 G 16 0.103 2.367 -8.778
174 2H2 G 16 2H2 G 16 -0.077 2.130 -7.054
175 1H5* A 17 1H5* A 17 -2.938 -4.160 -13.512
176 2H5* A 17 2H5* A 17 -4.015 -3.083 -12.600
177 H4* A 17 H4* A 17 -1.221 -2.242 -13.429
178 H3* A 17 H3* A 17 -2.165 -3.823 -11.020
179 H2* A 17 1H2* A 17 -0.655 -2.646 -9.649
180 2HO* A 17 2HO* A 17 0.492 -1.553 -12.030
181 H1* A 17 H1* A 17 -1.088 -0.162 -10.743
182 H8 A 17 H8 A 17 -4.525 -1.124 -10.612
183 1H6 A 17 1H6 A 17 -4.483 -1.156 -4.461
184 2H6 A 17 2H6 A 17 -5.491 -1.170 -5.891
185 H2 A 17 H2 A 17 -0.220 -1.076 -5.878
186 1H5* U 18 1H5* U 18 1.746 -4.648 -10.925
187 2H5* U 18 2H5* U 18 2.247 -6.320 -10.599
188 H4* U 18 H4* U 18 2.997 -4.888 -8.773
189 H3* U 18 H3* U 18 0.668 -6.739 -8.182
190 H2* U 18 1H2* U 18 0.683 -6.038 -5.936
191 2HO* U 18 2HO* U 18 3.258 -5.005 -6.569
192 H1* U 18 H1* U 18 1.063 -3.366 -6.435
193 H3 U 18 H3 U 18 -3.175 -4.094 -4.817
194 H5 U 18 H5 U 18 -3.424 -4.758 -8.969
195 H6 U 18 H6 U 18 -1.005 -4.635 -9.068
196 1H5* C 19 1H5* C 19 3.810 -8.381 -5.649
197 2H5* C 19 2H5* C 19 3.799 -10.156 -5.637
198 H4* C 19 H4* C 19 3.480 -9.312 -3.363
199 H3* C 19 H3* C 19 1.082 -10.574 -4.722
200 H2* C 19 1H2* C 19 -0.174 -10.318 -2.750
201 2HO* C 19 2HO* C 19 2.167 -9.467 -1.363
202 H1* C 19 H1* C 19 0.716 -7.795 -2.123
203 1H4 C 19 1H4 C 19 -3.952 -7.214 -6.788
204 2H4 C 19 2H4 C 19 -4.796 -7.091 -5.260
205 H5 C 19 H5 C 19 -1.608 -7.721 -6.963
206 H6 C 19 H6 C 19 0.440 -8.222 -5.715
207 1H5* U 20 1H5* U 20 1.301 -12.729 -1.182
208 2H5* U 20 2H5* U 20 0.713 -14.393 -1.377
209 H4* U 20 H4* U 20 -0.720 -13.008 0.145
210 H3* U 20 H3* U 20 -1.829 -14.101 -2.459
211 H2* U 20 1H2* U 20 -3.945 -13.242 -1.932
212 2HO* U 20 2HO* U 20 -2.927 -13.230 0.700
213 H1* U 20 H1* U 20 -3.080 -10.849 -0.859
214 H3 U 20 H3 U 20 -5.321 -9.817 -4.679
215 H5 U 20 H5 U 20 -1.638 -11.361 -6.023
216 H6 U 20 H6 U 20 -1.121 -11.953 -3.729
217 1H5* C 21 1H5* C 21 -4.742 -14.996 0.687
218 2H5* C 21 2H5* C 21 -5.035 -16.742 0.559
219 H4* C 21 H4* C 21 -7.186 -15.667 0.690
220 H3* C 21 H3* C 21 -6.401 -16.557 -2.104
221 H2* C 21 1H2* C 21 -8.493 -15.858 -2.904
222 2HO* C 21 2HO* C 21 -9.904 -16.665 -1.406
223 H1* C 21 H1* C 21 -8.679 -13.554 -1.383
224 1H4 C 21 1H4 C 21 -5.107 -12.351 -6.846
225 2H4 C 21 2H4 C 21 -6.684 -11.643 -7.117
226 H5 C 21 H5 C 21 -4.550 -13.619 -4.875
227 H6 C 21 H6 C 21 -5.386 -14.492 -2.745
228 H3T C 21 H3T C 21 -8.537 -17.702 -0.822
Start of MODEL 9
1 1H5* G 1 1H5* G 1 -14.706 -10.191 -9.395
2 2H5* G 1 2H5* G 1 -14.696 -8.742 -8.355
3 H4* G 1 H4* G 1 -15.402 -10.869 -7.202
4 H3* G 1 H3* G 1 -12.867 -9.429 -6.363
5 H2* G 1 1H2* G 1 -12.566 -10.975 -4.615
6 2HO* G 1 2HO* G 1 -14.279 -12.583 -4.217
7 H1* G 1 H1* G 1 -13.237 -13.221 -6.046
8 H8 G 1 H8 G 1 -11.222 -11.434 -8.505
9 H1 G 1 H1 G 1 -7.573 -13.249 -3.605
10 1H2 G 1 1H2 G 1 -10.593 -13.839 -1.969
11 2H2 G 1 2H2 G 1 -8.846 -13.872 -1.897
12 H5T G 1 H5T G 1 -12.799 -8.592 -9.318
13 1H5* G 2 1H5* G 2 -14.644 -10.438 -2.927
14 2H5* G 2 2H5* G 2 -15.153 -8.987 -2.024
15 H4* G 2 H4* G 2 -14.131 -10.495 -0.460
16 H3* G 2 H3* G 2 -12.215 -8.332 -1.399
17 H2* G 2 1H2* G 2 -10.624 -9.138 0.146
18 2HO* G 2 2HO* G 2 -11.387 -11.013 1.537
19 H1* G 2 H1* G 2 -11.045 -11.802 -0.374
20 H8 G 2 H8 G 2 -11.187 -9.876 -3.606
21 H1 G 2 H1 G 2 -5.215 -10.811 -1.592
22 1H2 G 2 1H2 G 2 -6.705 -11.866 1.377
23 2H2 G 2 2H2 G 2 -5.225 -11.580 0.489
24 1H5* G 3 1H5* G 3 -12.202 -7.626 2.760
25 2H5* G 3 2H5* G 3 -11.699 -5.952 3.107
26 H4* G 3 H4* G 3 -10.098 -7.880 3.742
27 H3* G 3 H3* G 3 -9.275 -5.578 1.933
28 H2* G 3 1H2* G 3 -7.070 -6.403 1.989
29 2HO* G 3 2HO* G 3 -7.362 -6.944 4.379
30 H1* G 3 H1* G 3 -7.757 -9.070 1.766
31 H8 G 3 H8 G 3 -9.928 -7.385 -0.695
32 H1 G 3 H1 G 3 -3.843 -7.290 -2.587
33 1H2 G 3 1H2 G 3 -3.135 -8.262 0.687
34 2H2 G 3 2H2 G 3 -2.516 -7.859 -0.899
35 1H5* A 4 1H5* A 4 -6.729 -3.964 5.480
36 2H5* A 4 2H5* A 4 -6.113 -2.511 4.667
37 H4* A 4 H4* A 4 -4.724 -4.874 4.919
38 H3* A 4 H3* A 4 -4.593 -2.625 2.888
39 H2* A 4 1H2* A 4 -2.924 -3.789 1.708
40 2HO* A 4 2HO* A 4 -1.496 -4.773 2.924
41 H1* A 4 H1* A 4 -4.066 -6.281 1.901
42 H8 A 4 H8 A 4 -7.050 -4.382 1.148
43 1H6 A 4 1H6 A 4 -5.035 -3.350 -4.579
44 2H6 A 4 2H6 A 4 -6.418 -3.279 -3.511
45 H2 A 4 H2 A 4 -1.583 -4.874 -2.140
46 1H5* U 5 1H5* U 5 -0.616 -3.067 3.776
47 2H5* U 5 2H5* U 5 0.214 -1.509 3.964
48 H4* U 5 H4* U 5 1.166 -2.889 2.111
49 H3* U 5 H3* U 5 -0.195 -0.245 1.504
50 H2* U 5 1H2* U 5 0.355 -0.475 -0.763
51 2HO* U 5 2HO* U 5 2.042 -2.675 -0.074
52 H1* U 5 H1* U 5 -0.120 -3.188 -0.964
53 H3 U 5 H3 U 5 -3.118 -0.838 -3.533
54 H5 U 5 H5 U 5 -4.762 -0.927 0.343
55 H6 U 5 H6 U 5 -2.658 -1.822 1.149
56 1H5* C 6 1H5* C 6 3.858 -0.532 -0.387
57 2H5* C 6 2H5* C 6 4.668 1.016 -0.072
58 H4* C 6 H4* C 6 4.884 0.374 -2.450
59 H3* C 6 H3* C 6 3.154 2.762 -1.735
60 H2* C 6 1H2* C 6 2.753 3.173 -4.010
61 2HO* C 6 2HO* C 6 4.386 2.919 -5.318
62 H1* C 6 H1* C 6 2.487 0.540 -4.799
63 1H4 C 6 1H4 C 6 -3.313 2.532 -2.286
64 2H4 C 6 2H4 C 6 -3.459 2.689 -4.023
65 H5 C 6 H5 C 6 -1.262 1.917 -1.184
66 H6 C 6 H6 C 6 1.087 1.303 -1.509
67 1H5* A 7 1H5* A 7 6.769 7.023 -2.838
68 2H5* A 7 2H5* A 7 5.163 6.733 -2.139
69 H4* A 7 H4* A 7 6.145 6.017 -4.926
70 H3* A 7 H3* A 7 4.014 7.822 -3.739
71 H2* A 7 1H2* A 7 2.654 7.473 -5.624
72 2HO* A 7 2HO* A 7 3.630 6.138 -7.420
73 H1* A 7 H1* A 7 3.131 4.776 -5.874
74 H8 A 7 H8 A 7 2.774 5.876 -2.250
75 1H6 A 7 1H6 A 7 -3.308 5.256 -2.960
76 2H6 A 7 2H6 A 7 -2.020 5.550 -1.814
77 H2 A 7 H2 A 7 -1.378 4.785 -6.991
78 1H5* C 8 1H5* C 8 2.806 11.264 -7.367
79 2H5* C 8 2H5* C 8 2.341 9.899 -6.332
80 H4* C 8 H4* C 8 3.335 9.297 -9.103
81 H3* C 8 H3* C 8 0.663 10.552 -8.393
82 H2* C 8 1H2* C 8 -0.379 9.174 -10.003
83 2HO* C 8 2HO* C 8 1.070 7.744 -11.309
84 H1* C 8 H1* C 8 0.955 6.873 -9.347
85 1H4 C 8 1H4 C 8 -3.719 7.732 -4.739
86 2H4 C 8 2H4 C 8 -4.593 7.115 -6.122
87 H5 C 8 H5 C 8 -1.391 8.333 -4.814
88 H6 C 8 H6 C 8 0.604 8.482 -6.225
89 1H5* C 9 1H5* C 9 0.544 10.406 -12.536
90 2H5* C 9 2H5* C 9 -0.164 11.900 -13.182
91 H4* C 9 H4* C 9 -1.424 9.829 -13.839
92 H3* C 9 H3* C 9 -2.745 11.963 -12.129
93 H2* C 9 1H2* C 9 -4.764 10.778 -12.233
94 2HO* C 9 2HO* C 9 -3.573 9.184 -14.288
95 H1* C 9 H1* C 9 -3.677 8.246 -12.001
96 1H4 C 9 1H4 C 9 -4.353 10.681 -5.890
97 2H4 C 9 2H4 C 9 -5.898 9.949 -6.261
98 H5 C 9 H5 C 9 -2.575 10.898 -7.500
99 H6 C 9 H6 C 9 -1.891 10.458 -9.810
100 1H5* A 10 1H5* A 10 -7.151 13.264 -15.170
101 2H5* A 10 2H5* A 10 -6.317 13.998 -13.785
102 H4* A 10 H4* A 10 -7.850 11.388 -13.911
103 H3* A 10 H3* A 10 -7.882 13.919 -12.235
104 H2* A 10 1H2* A 10 -8.685 12.705 -10.400
105 2HO* A 10 2HO* A 10 -9.990 11.328 -12.186
106 H1* A 10 H1* A 10 -7.153 10.445 -10.767
107 H8 A 10 H8 A 10 -4.720 13.097 -11.281
108 1H6 A 10 1H6 A 10 -4.794 14.377 -5.261
109 2H6 A 10 2H6 A 10 -3.950 14.637 -6.772
110 H2 A 10 H2 A 10 -8.287 11.700 -6.166
111 1H5* U 11 1H5* U 11 -11.302 11.914 -10.666
112 2H5* U 11 2H5* U 11 -12.566 12.760 -11.580
113 H4* U 11 H4* U 11 -13.200 12.416 -9.196
114 H3* U 11 H3* U 11 -13.610 14.686 -10.642
115 H2* U 11 1H2* U 11 -11.668 15.854 -10.020
116 2HO* U 11 2HO* U 11 -12.431 17.030 -7.884
117 H1* U 11 H1* U 11 -11.910 15.041 -7.131
118 H3 U 11 H3 U 11 -7.909 16.865 -6.269
119 H5 U 11 H5 U 11 -7.338 15.176 -10.087
120 H6 U 11 H6 U 11 -9.660 14.483 -10.056
121 1H5* U 12 1H5* U 12 -17.696 14.146 -7.495
122 2H5* U 12 2H5* U 12 -17.882 15.481 -6.346
123 H4* U 12 H4* U 12 -16.402 13.036 -6.059
124 H3* U 12 H3* U 12 -17.815 14.720 -4.454
125 H2* U 12 1H2* U 12 -16.337 16.498 -4.381
126 2HO* U 12 2HO* U 12 -15.068 16.324 -2.456
127 H1* U 12 H1* U 12 -13.881 14.776 -4.180
128 H3 U 12 H3 U 12 -11.378 18.450 -4.679
129 H5 U 12 H5 U 12 -14.544 19.132 -7.374
130 H6 U 12 H6 U 12 -15.524 17.034 -6.654
131 1H5* A 13 1H5* A 13 -18.290 12.143 -5.416
132 2H5* A 13 2H5* A 13 -19.297 10.696 -5.203
133 H4* A 13 H4* A 13 -17.639 9.856 -6.597
134 H3* A 13 H3* A 13 -17.407 9.112 -3.879
135 H2* A 13 1H2* A 13 -15.353 10.057 -3.435
136 2HO* A 13 2HO* A 13 -14.992 7.708 -3.794
137 H1* A 13 H1* A 13 -14.434 9.889 -6.301
138 H8 A 13 H8 A 13 -15.070 12.444 -3.467
139 1H6 A 13 1H6 A 13 -9.303 14.339 -4.490
140 2H6 A 13 2H6 A 13 -10.718 14.545 -3.483
141 H2 A 13 H2 A 13 -10.282 11.103 -7.449
142 1H5* G 14 1H5* G 14 -14.958 4.484 -6.325
143 2H5* G 14 2H5* G 14 -14.754 5.883 -5.238
144 H4* G 14 H4* G 14 -15.827 6.378 -8.005
145 H3* G 14 H3* G 14 -13.044 5.353 -7.376
146 H2* G 14 1H2* G 14 -12.122 6.852 -8.914
147 2HO* G 14 2HO* G 14 -13.268 7.819 -10.532
148 H1* G 14 H1* G 14 -13.672 9.018 -8.278
149 H8 G 14 H8 G 14 -13.048 8.138 -4.979
150 H1 G 14 H1 G 14 -7.389 8.984 -7.789
151 1H2 G 14 1H2 G 14 -9.197 8.700 -10.757
152 2H2 G 14 2H2 G 14 -7.640 8.932 -9.994
153 1H5* G 15 1H5* G 15 -13.192 4.611 -11.361
154 2H5* G 15 2H5* G 15 -13.020 2.905 -11.849
155 H4* G 15 H4* G 15 -11.409 4.202 -13.086
156 H3* G 15 H3* G 15 -10.202 2.796 -10.678
157 H2* G 15 1H2* G 15 -8.078 3.560 -11.344
158 2HO* G 15 2HO* G 15 -7.656 4.381 -13.371
159 H1* G 15 H1* G 15 -8.868 6.105 -12.016
160 H8 G 15 H8 G 15 -10.705 5.363 -8.892
161 H1 G 15 H1 G 15 -4.486 6.186 -7.770
162 1H2 G 15 1H2 G 15 -4.143 5.913 -11.228
163 2H2 G 15 2H2 G 15 -3.359 6.142 -9.682
164 1H5* G 16 1H5* G 16 -7.960 2.292 -13.959
165 2H5* G 16 2H5* G 16 -7.423 0.633 -14.334
166 H4* G 16 H4* G 16 -5.594 2.322 -14.458
167 H3* G 16 H3* G 16 -5.500 0.264 -12.227
168 H2* G 16 1H2* G 16 -3.379 1.072 -11.625
169 2HO* G 16 2HO* G 16 -2.139 2.367 -12.961
170 H1* G 16 H1* G 16 -3.956 3.750 -11.984
171 H8 G 16 H8 G 16 -6.891 2.452 -10.188
172 H1 G 16 H1 G 16 -1.775 2.525 -6.389
173 1H2 G 16 1H2 G 16 0.025 2.999 -9.338
174 2H2 G 16 2H2 G 16 0.063 2.814 -7.598
175 1H5* A 17 1H5* A 17 -2.065 -0.299 -14.056
176 2H5* A 17 2H5* A 17 -1.481 -1.966 -14.243
177 H4* A 17 H4* A 17 0.065 -0.690 -12.832
178 H3* A 17 H3* A 17 -1.639 -2.787 -11.443
179 H2* A 17 1H2* A 17 -0.465 -2.378 -9.453
180 2HO* A 17 2HO* A 17 1.569 -1.916 -11.069
181 H1* A 17 H1* A 17 -0.316 0.368 -9.733
182 H8 A 17 H8 A 17 -3.797 -0.624 -10.631
183 1H6 A 17 1H6 A 17 -5.029 -1.142 -4.620
184 2H6 A 17 2H6 A 17 -5.721 -1.083 -6.226
185 H2 A 17 H2 A 17 -0.582 -0.740 -5.101
186 1H5* U 18 1H5* U 18 2.528 -3.543 -10.725
187 2H5* U 18 2H5* U 18 2.921 -5.273 -10.644
188 H4* U 18 H4* U 18 3.704 -4.037 -8.633
189 H3* U 18 H3* U 18 1.508 -6.112 -8.346
190 H2* U 18 1H2* U 18 1.537 -5.812 -6.021
191 2HO* U 18 2HO* U 18 3.939 -4.294 -6.337
192 H1* U 18 H1* U 18 1.860 -3.068 -6.042
193 H3 U 18 H3 U 18 -2.265 -3.839 -4.298
194 H5 U 18 H5 U 18 -2.742 -4.485 -8.435
195 H6 U 18 H6 U 18 -0.338 -4.277 -8.679
196 1H5* C 19 1H5* C 19 4.451 -6.794 -5.481
197 2H5* C 19 2H5* C 19 4.935 -8.500 -5.385
198 H4* C 19 H4* C 19 4.402 -7.696 -3.147
199 H3* C 19 H3* C 19 2.386 -9.566 -4.425
200 H2* C 19 1H2* C 19 1.117 -9.551 -2.452
201 2HO* C 19 2HO* C 19 3.225 -8.163 -1.123
202 H1* C 19 H1* C 19 1.421 -6.867 -1.879
203 1H4 C 19 1H4 C 19 -3.463 -7.572 -6.309
204 2H4 C 19 2H4 C 19 -4.240 -7.411 -4.750
205 H5 C 19 H5 C 19 -1.075 -7.697 -6.588
206 H6 C 19 H6 C 19 1.085 -7.690 -5.434
207 1H5* U 20 1H5* U 20 3.235 -11.135 -0.761
208 2H5* U 20 2H5* U 20 3.255 -12.908 -0.668
209 H4* U 20 H4* U 20 1.536 -11.977 0.828
210 H3* U 20 H3* U 20 0.601 -13.486 -1.634
211 H2* U 20 1H2* U 20 -1.619 -13.257 -0.911
212 2HO* U 20 2HO* U 20 -2.125 -13.221 1.145
213 H1* U 20 H1* U 20 -1.397 -10.667 0.030
214 H3 U 20 H3 U 20 -4.197 -10.289 -3.498
215 H5 U 20 H5 U 20 -0.472 -11.139 -5.271
216 H6 U 20 H6 U 20 0.438 -11.475 -3.049
217 1H5* C 21 1H5* C 21 -1.366 -15.076 1.986
218 2H5* C 21 2H5* C 21 -1.337 -16.848 1.873
219 H4* C 21 H4* C 21 -3.599 -16.123 2.422
220 H3* C 21 H3* C 21 -3.143 -17.127 -0.405
221 H2* C 21 1H2* C 21 -5.428 -16.871 -0.875
222 2HO* C 21 2HO* C 21 -6.467 -17.723 0.853
223 H1* C 21 H1* C 21 -5.792 -14.492 0.486
224 1H4 C 21 1H4 C 21 -3.320 -13.229 -5.543
225 2H4 C 21 2H4 C 21 -5.014 -12.793 -5.595
226 H5 C 21 H5 C 21 -2.275 -14.232 -3.618
227 H6 C 21 H6 C 21 -2.627 -15.036 -1.331
228 H3T C 21 H3T C 21 -3.736 -18.992 0.504
Start of MODEL 10
1 1H5* G 1 1H5* G 1 -14.029 -8.258 -10.664
2 2H5* G 1 2H5* G 1 -14.411 -7.039 -9.419
3 H4* G 1 H4* G 1 -15.219 -9.236 -8.722
4 H3* G 1 H3* G 1 -12.711 -8.249 -7.331
5 H2* G 1 1H2* G 1 -12.697 -10.160 -5.970
6 2HO* G 1 2HO* G 1 -14.512 -11.031 -5.338
7 H1* G 1 H1* G 1 -13.408 -11.970 -7.924
8 H8 G 1 H8 G 1 -10.968 -10.125 -9.815
9 H1 G 1 H1 G 1 -8.094 -12.902 -4.850
10 1H2 G 1 1H2 G 1 -11.326 -13.319 -3.609
11 2H2 G 1 2H2 G 1 -9.611 -13.564 -3.368
12 H5T G 1 H5T G 1 -11.969 -7.968 -10.326
13 1H5* G 2 1H5* G 2 -15.050 -9.810 -4.013
14 2H5* G 2 2H5* G 2 -15.434 -8.313 -3.123
15 H4* G 2 H4* G 2 -14.727 -10.030 -1.553
16 H3* G 2 H3* G 2 -12.647 -7.910 -2.171
17 H2* G 2 1H2* G 2 -11.169 -8.892 -0.633
18 2HO* G 2 2HO* G 2 -11.832 -10.000 1.072
19 H1* G 2 H1* G 2 -11.724 -11.520 -1.262
20 H8 G 2 H8 G 2 -11.493 -9.344 -4.354
21 H1 G 2 H1 G 2 -5.797 -11.163 -2.152
22 1H2 G 2 1H2 G 2 -7.573 -12.297 0.626
23 2H2 G 2 2H2 G 2 -6.020 -12.113 -0.158
24 1H5* G 3 1H5* G 3 -11.578 -5.370 2.318
25 2H5* G 3 2H5* G 3 -10.993 -5.450 0.634
26 H4* G 3 H4* G 3 -10.264 -7.183 3.038
27 H3* G 3 H3* G 3 -8.811 -5.276 1.176
28 H2* G 3 1H2* G 3 -6.829 -6.516 1.472
29 2HO* G 3 2HO* G 3 -6.663 -7.030 3.570
30 H1* G 3 H1* G 3 -7.983 -8.994 1.276
31 H8 G 3 H8 G 3 -9.811 -7.292 -1.359
32 H1 G 3 H1 G 3 -3.640 -7.646 -2.911
33 1H2 G 3 1H2 G 3 -3.161 -8.456 0.447
34 2H2 G 3 2H2 G 3 -2.438 -8.183 -1.122
35 1H5* A 4 1H5* A 4 -7.157 -3.471 5.150
36 2H5* A 4 2H5* A 4 -6.457 -1.929 4.618
37 H4* A 4 H4* A 4 -4.881 -3.995 4.960
38 H3* A 4 H3* A 4 -4.927 -2.158 2.540
39 H2* A 4 1H2* A 4 -3.043 -3.309 1.691
40 2HO* A 4 2HO* A 4 -2.913 -4.552 4.265
41 H1* A 4 H1* A 4 -3.986 -5.818 2.227
42 H8 A 4 H8 A 4 -7.041 -4.075 1.156
43 1H6 A 4 1H6 A 4 -5.006 -4.108 -4.649
44 2H6 A 4 2H6 A 4 -6.386 -3.822 -3.614
45 H2 A 4 H2 A 4 -1.594 -5.287 -1.973
46 1H5* U 5 1H5* U 5 -1.227 -0.613 4.712
47 2H5* U 5 2H5* U 5 -0.649 0.862 3.912
48 H4* U 5 H4* U 5 0.505 -1.423 3.355
49 H3* U 5 H3* U 5 -0.453 0.649 1.356
50 H2* U 5 1H2* U 5 0.378 -0.664 -0.402
51 2HO* U 5 2HO* U 5 1.978 -2.095 -0.174
52 H1* U 5 H1* U 5 -0.381 -3.117 0.606
53 H3 U 5 H3 U 5 -2.611 -1.957 -3.286
54 H5 U 5 H5 U 5 -4.914 -0.447 -0.100
55 H6 U 5 H6 U 5 -3.080 -0.978 1.394
56 1H5* C 6 1H5* C 6 2.657 -0.075 -0.003
57 2H5* C 6 2H5* C 6 4.403 0.031 0.284
58 H4* C 6 H4* C 6 4.761 0.695 -1.841
59 H3* C 6 H3* C 6 2.658 2.780 -1.180
60 H2* C 6 1H2* C 6 2.442 3.297 -3.457
61 2HO* C 6 2HO* C 6 4.825 1.769 -3.866
62 H1* C 6 H1* C 6 2.587 0.713 -4.408
63 1H4 C 6 1H4 C 6 -3.596 1.929 -2.323
64 2H4 C 6 2H4 C 6 -3.615 2.163 -4.057
65 H5 C 6 H5 C 6 -1.592 1.449 -1.081
66 H6 C 6 H6 C 6 0.826 1.099 -1.226
67 1H5* A 7 1H5* A 7 5.734 7.566 -1.799
68 2H5* A 7 2H5* A 7 4.087 6.990 -1.478
69 H4* A 7 H4* A 7 5.772 6.469 -3.959
70 H3* A 7 H3* A 7 3.251 8.033 -3.327
71 H2* A 7 1H2* A 7 2.398 7.550 -5.458
72 2HO* A 7 2HO* A 7 4.840 7.778 -6.258
73 H1* A 7 H1* A 7 3.268 4.932 -5.587
74 H8 A 7 H8 A 7 1.864 5.747 -2.169
75 1H6 A 7 1H6 A 7 -3.722 4.562 -4.477
76 2H6 A 7 2H6 A 7 -2.812 4.887 -3.019
77 H2 A 7 H2 A 7 -0.792 4.634 -7.884
78 1H5* C 8 1H5* C 8 2.474 11.578 -6.781
79 2H5* C 8 2H5* C 8 1.800 10.195 -5.894
80 H4* C 8 H4* C 8 2.968 9.853 -8.668
81 H3* C 8 H3* C 8 0.221 10.848 -7.847
82 H2* C 8 1H2* C 8 -0.735 9.606 -9.609
83 2HO* C 8 2HO* C 8 1.907 9.033 -10.538
84 H1* C 8 H1* C 8 0.749 7.332 -9.232
85 1H4 C 8 1H4 C 8 -3.977 7.305 -4.597
86 2H4 C 8 2H4 C 8 -4.833 6.886 -6.064
87 H5 C 8 H5 C 8 -1.665 7.965 -4.564
88 H6 C 8 H6 C 8 0.317 8.416 -5.927
89 1H5* C 9 1H5* C 9 0.085 11.795 -12.015
90 2H5* C 9 2H5* C 9 -1.042 13.152 -12.217
91 H4* C 9 H4* C 9 -1.756 10.846 -13.161
92 H3* C 9 H3* C 9 -3.429 12.569 -11.304
93 H2* C 9 1H2* C 9 -5.178 11.012 -11.434
94 2HO* C 9 2HO* C 9 -3.766 9.848 -13.631
95 H1* C 9 H1* C 9 -3.620 8.729 -11.377
96 1H4 C 9 1H4 C 9 -4.498 10.604 -5.103
97 2H4 C 9 2H4 C 9 -5.959 9.731 -5.510
98 H5 C 9 H5 C 9 -2.800 11.161 -6.719
99 H6 C 9 H6 C 9 -2.124 10.980 -9.065
100 1H5* A 10 1H5* A 10 -6.480 11.747 -13.706
101 2H5* A 10 2H5* A 10 -7.600 13.122 -13.625
102 H4* A 10 H4* A 10 -8.263 10.963 -12.354
103 H3* A 10 H3* A 10 -8.183 13.750 -11.156
104 H2* A 10 1H2* A 10 -8.972 12.902 -9.107
105 2HO* A 10 2HO* A 10 -9.676 10.600 -10.635
106 H1* A 10 H1* A 10 -7.466 10.603 -9.088
107 H8 A 10 H8 A 10 -5.239 13.336 -10.307
108 1H6 A 10 1H6 A 10 -4.518 15.113 -4.457
109 2H6 A 10 2H6 A 10 -3.942 15.309 -6.097
110 H2 A 10 H2 A 10 -7.855 12.102 -4.602
111 1H5* U 11 1H5* U 11 -11.366 11.984 -9.603
112 2H5* U 11 2H5* U 11 -12.851 12.659 -10.300
113 H4* U 11 H4* U 11 -13.119 12.280 -7.884
114 H3* U 11 H3* U 11 -13.852 14.556 -9.189
115 H2* U 11 1H2* U 11 -11.948 15.841 -8.784
116 2HO* U 11 2HO* U 11 -12.669 17.381 -7.498
117 H1* U 11 H1* U 11 -11.684 14.927 -5.931
118 H3 U 11 H3 U 11 -7.566 16.636 -5.545
119 H5 U 11 H5 U 11 -7.801 15.765 -9.660
120 H6 U 11 H6 U 11 -10.035 14.906 -9.286
121 1H5* U 12 1H5* U 12 -17.444 15.012 -4.961
122 2H5* U 12 2H5* U 12 -15.900 15.449 -5.713
123 H4* U 12 H4* U 12 -15.892 12.753 -4.561
124 H3* U 12 H3* U 12 -17.308 14.476 -2.997
125 H2* U 12 1H2* U 12 -15.775 16.207 -2.859
126 2HO* U 12 2HO* U 12 -15.984 15.639 -0.711
127 H1* U 12 H1* U 12 -13.385 14.404 -2.573
128 H3 U 12 H3 U 12 -10.566 17.802 -3.239
129 H5 U 12 H5 U 12 -13.925 18.968 -5.499
130 H6 U 12 H6 U 12 -15.016 16.914 -4.818
131 1H5* A 13 1H5* A 13 -18.054 11.900 -3.899
132 2H5* A 13 2H5* A 13 -18.995 10.418 -3.632
133 H4* A 13 H4* A 13 -17.365 9.662 -5.117
134 H3* A 13 H3* A 13 -17.005 8.914 -2.387
135 H2* A 13 1H2* A 13 -14.899 9.768 -2.080
136 2HO* A 13 2HO* A 13 -14.001 7.842 -2.181
137 H1* A 13 H1* A 13 -14.221 9.696 -5.015
138 H8 A 13 H8 A 13 -14.555 12.130 -2.026
139 1H6 A 13 1H6 A 13 -8.842 13.933 -3.424
140 2H6 A 13 2H6 A 13 -10.160 14.112 -2.286
141 H2 A 13 H2 A 13 -10.160 10.911 -6.465
142 1H5* G 14 1H5* G 14 -16.211 4.725 -5.507
143 2H5* G 14 2H5* G 14 -14.503 4.266 -5.295
144 H4* G 14 H4* G 14 -15.746 6.284 -7.005
145 H3* G 14 H3* G 14 -12.994 5.072 -6.617
146 H2* G 14 1H2* G 14 -12.061 6.743 -7.946
147 2HO* G 14 2HO* G 14 -14.662 6.928 -8.972
148 H1* G 14 H1* G 14 -13.589 8.844 -7.036
149 H8 G 14 H8 G 14 -12.772 7.753 -3.876
150 H1 G 14 H1 G 14 -7.286 8.777 -6.952
151 1H2 G 14 1H2 G 14 -9.252 8.575 -9.827
152 2H2 G 14 2H2 G 14 -7.657 8.798 -9.144
153 1H5* G 15 1H5* G 15 -13.542 4.011 -11.142
154 2H5* G 15 2H5* G 15 -12.948 2.330 -11.162
155 H4* G 15 H4* G 15 -11.792 3.933 -12.751
156 H3* G 15 H3* G 15 -10.272 2.546 -10.521
157 H2* G 15 1H2* G 15 -8.268 3.495 -11.297
158 2HO* G 15 2HO* G 15 -9.743 4.194 -13.642
159 H1* G 15 H1* G 15 -9.264 5.999 -11.812
160 H8 G 15 H8 G 15 -10.855 5.032 -8.620
161 H1 G 15 H1 G 15 -4.628 6.137 -7.826
162 1H2 G 15 1H2 G 15 -4.493 6.089 -11.310
163 2H2 G 15 2H2 G 15 -3.624 6.273 -9.802
164 1H5* G 16 1H5* G 16 -7.826 2.429 -13.763
165 2H5* G 16 2H5* G 16 -7.641 0.733 -14.284
166 H4* G 16 H4* G 16 -5.489 1.858 -14.402
167 H3* G 16 H3* G 16 -5.833 0.026 -12.006
168 H2* G 16 1H2* G 16 -3.612 0.446 -11.379
169 2HO* G 16 2HO* G 16 -3.234 1.697 -13.922
170 H1* G 16 H1* G 16 -3.598 3.141 -11.988
171 H8 G 16 H8 G 16 -6.798 2.605 -10.233
172 H1 G 16 H1 G 16 -1.885 2.152 -6.201
173 1H2 G 16 1H2 G 16 0.067 1.980 -9.086
174 2H2 G 16 2H2 G 16 0.015 1.974 -7.338
175 1H5* A 17 1H5* A 17 -2.472 -0.949 -13.873
176 2H5* A 17 2H5* A 17 -1.948 -2.644 -13.961
177 H4* A 17 H4* A 17 -0.285 -1.242 -12.776
178 H3* A 17 H3* A 17 -1.820 -3.340 -11.214
179 H2* A 17 1H2* A 17 -0.567 -2.837 -9.295
180 2HO* A 17 2HO* A 17 1.135 -0.938 -10.259
181 H1* A 17 H1* A 17 -0.552 -0.103 -9.609
182 H8 A 17 H8 A 17 -3.972 -1.419 -10.463
183 1H6 A 17 1H6 A 17 -5.180 -1.595 -4.429
184 2H6 A 17 2H6 A 17 -5.861 -1.734 -6.034
185 H2 A 17 H2 A 17 -0.788 -0.790 -4.946
186 1H5* U 18 1H5* U 18 2.392 -3.739 -10.581
187 2H5* U 18 2H5* U 18 2.913 -5.436 -10.565
188 H4* U 18 H4* U 18 3.748 -4.290 -8.568
189 H3* U 18 H3* U 18 1.513 -6.305 -8.177
190 H2* U 18 1H2* U 18 1.671 -6.011 -5.845
191 2HO* U 18 2HO* U 18 3.817 -5.974 -5.400
192 H1* U 18 H1* U 18 1.925 -3.279 -5.893
193 H3 U 18 H3 U 18 -2.241 -3.919 -4.241
194 H5 U 18 H5 U 18 -2.595 -5.016 -8.294
195 H6 U 18 H6 U 18 -0.195 -4.744 -8.511
196 1H5* C 19 1H5* C 19 4.714 -8.229 -5.910
197 2H5* C 19 2H5* C 19 4.420 -9.979 -5.863
198 H4* C 19 H4* C 19 4.236 -8.792 -3.624
199 H3* C 19 H3* C 19 1.922 -10.345 -4.827
200 H2* C 19 1H2* C 19 0.683 -9.978 -2.862
201 2HO* C 19 2HO* C 19 1.679 -9.080 -0.977
202 H1* C 19 H1* C 19 1.433 -7.352 -2.500
203 1H4 C 19 1H4 C 19 -3.434 -7.518 -6.994
204 2H4 C 19 2H4 C 19 -4.237 -7.382 -5.447
205 H5 C 19 H5 C 19 -1.056 -7.811 -7.224
206 H6 C 19 H6 C 19 1.065 -8.046 -6.023
207 1H5* U 20 1H5* U 20 2.523 -12.099 -1.132
208 2H5* U 20 2H5* U 20 2.430 -13.873 -1.128
209 H4* U 20 H4* U 20 0.791 -12.995 0.446
210 H3* U 20 H3* U 20 -0.300 -14.108 -2.157
211 H2* U 20 1H2* U 20 -2.493 -13.729 -1.412
212 2HO* U 20 2HO* U 20 -2.918 -14.066 0.625
213 H1* U 20 H1* U 20 -2.029 -11.277 -0.243
214 H3 U 20 H3 U 20 -4.639 -10.397 -3.850
215 H5 U 20 H5 U 20 -0.859 -11.244 -5.506
216 H6 U 20 H6 U 20 -0.102 -11.876 -3.292
217 1H5* C 21 1H5* C 21 -2.650 -15.908 0.977
218 2H5* C 21 2H5* C 21 -2.799 -17.641 0.620
219 H4* C 21 H4* C 21 -5.021 -16.662 0.975
220 H3* C 21 H3* C 21 -4.287 -17.486 -1.852
221 H2* C 21 1H2* C 21 -6.435 -16.901 -2.591
222 2HO* C 21 2HO* C 21 -7.294 -16.497 0.094
223 H1* C 21 H1* C 21 -6.709 -14.611 -1.070
224 1H4 C 21 1H4 C 21 -3.268 -13.235 -6.575
225 2H4 C 21 2H4 C 21 -4.885 -12.616 -6.832
226 H5 C 21 H5 C 21 -2.622 -14.463 -4.608
227 H6 C 21 H6 C 21 -3.386 -15.372 -2.466
228 H3T C 21 H3T C 21 -6.049 -19.050 -1.078
Start of MODEL 11
1 1H5* G 1 1H5* G 1 -14.110 -5.099 -8.417
2 2H5* G 1 2H5* G 1 -15.730 -4.899 -9.133
3 H4* G 1 H4* G 1 -16.654 -6.390 -7.462
4 H3* G 1 H3* G 1 -13.977 -5.975 -6.100
5 H2* G 1 1H2* G 1 -14.079 -8.141 -5.205
6 2HO* G 1 2HO* G 1 -16.841 -8.040 -5.914
7 H1* G 1 H1* G 1 -15.122 -9.384 -7.441
8 H8 G 1 H8 G 1 -12.602 -7.458 -9.110
9 H1 G 1 H1 G 1 -9.762 -11.479 -5.059
10 1H2 G 1 1H2 G 1 -12.936 -11.817 -3.655
11 2H2 G 1 2H2 G 1 -11.249 -12.276 -3.615
12 H5T G 1 H5T G 1 -16.315 -3.911 -7.083
13 1H5* G 2 1H5* G 2 -15.906 -7.821 -2.873
14 2H5* G 2 2H5* G 2 -16.239 -6.451 -1.780
15 H4* G 2 H4* G 2 -15.377 -8.137 -0.369
16 H3* G 2 H3* G 2 -13.111 -6.367 -1.340
17 H2* G 2 1H2* G 2 -11.610 -7.596 0.005
18 2HO* G 2 2HO* G 2 -13.767 -9.105 1.091
19 H1* G 2 H1* G 2 -12.587 -10.063 -0.658
20 H8 G 2 H8 G 2 -12.662 -7.794 -3.679
21 H1 G 2 H1 G 2 -6.859 -10.149 -2.510
22 1H2 G 2 1H2 G 2 -8.242 -11.247 0.493
23 2H2 G 2 2H2 G 2 -6.829 -11.157 -0.535
24 1H5* G 3 1H5* G 3 -12.450 -6.782 2.505
25 2H5* G 3 2H5* G 3 -12.086 -5.285 3.404
26 H4* G 3 H4* G 3 -10.336 -6.965 3.748
27 H3* G 3 H3* G 3 -9.593 -4.654 1.921
28 H2* G 3 1H2* G 3 -7.397 -5.486 1.831
29 2HO* G 3 2HO* G 3 -6.993 -5.965 3.970
30 H1* G 3 H1* G 3 -8.087 -8.161 1.672
31 H8 G 3 H8 G 3 -10.287 -6.108 -0.597
32 H1 G 3 H1 G 3 -4.494 -7.109 -3.056
33 1H2 G 3 1H2 G 3 -3.698 -8.316 0.116
34 2H2 G 3 2H2 G 3 -3.158 -7.984 -1.514
35 1H5* A 4 1H5* A 4 -5.692 -2.030 5.113
36 2H5* A 4 2H5* A 4 -6.324 -2.071 3.454
37 H4* A 4 H4* A 4 -4.636 -4.216 4.808
38 H3* A 4 H3* A 4 -4.141 -2.124 2.669
39 H2* A 4 1H2* A 4 -2.686 -3.590 1.555
40 2HO* A 4 2HO* A 4 -1.811 -5.410 2.521
41 H1* A 4 H1* A 4 -4.171 -5.887 1.924
42 H8 A 4 H8 A 4 -6.803 -3.579 0.962
43 1H6 A 4 1H6 A 4 -4.668 -3.495 -4.810
44 2H6 A 4 2H6 A 4 -6.017 -3.089 -3.772
45 H2 A 4 H2 A 4 -1.521 -5.346 -2.190
46 1H5* U 5 1H5* U 5 -0.338 -3.243 3.439
47 2H5* U 5 2H5* U 5 0.705 -1.853 3.802
48 H4* U 5 H4* U 5 1.672 -3.101 1.947
49 H3* U 5 H3* U 5 0.364 -0.452 1.262
50 H2* U 5 1H2* U 5 1.020 -0.693 -0.975
51 2HO* U 5 2HO* U 5 2.516 -3.034 -0.503
52 H1* U 5 H1* U 5 0.506 -3.394 -1.191
53 H3 U 5 H3 U 5 -2.467 -1.193 -3.864
54 H5 U 5 H5 U 5 -4.030 -0.801 0.028
55 H6 U 5 H6 U 5 -1.973 -1.761 0.881
56 1H5* C 6 1H5* C 6 4.517 -0.439 -0.267
57 2H5* C 6 2H5* C 6 5.192 1.193 -0.089
58 H4* C 6 H4* C 6 5.419 0.385 -2.413
59 H3* C 6 H3* C 6 3.508 2.674 -1.852
60 H2* C 6 1H2* C 6 3.061 2.873 -4.143
61 2HO* C 6 2HO* C 6 5.535 2.314 -4.491
62 H1* C 6 H1* C 6 2.989 0.175 -4.715
63 1H4 C 6 1H4 C 6 -2.874 2.123 -2.285
64 2H4 C 6 2H4 C 6 -3.090 1.922 -4.009
65 H5 C 6 H5 C 6 -0.751 1.855 -1.183
66 H6 C 6 H6 C 6 1.622 1.335 -1.491
67 1H5* A 7 1H5* A 7 6.239 4.054 -5.192
68 2H5* A 7 2H5* A 7 6.592 5.743 -4.775
69 H4* A 7 H4* A 7 5.778 5.620 -7.079
70 H3* A 7 H3* A 7 3.875 6.805 -5.031
71 H2* A 7 1H2* A 7 2.366 7.311 -6.755
72 2HO* A 7 2HO* A 7 3.861 8.178 -8.249
73 H1* A 7 H1* A 7 2.730 4.977 -8.196
74 H8 A 7 H8 A 7 2.447 4.761 -4.367
75 1H6 A 7 1H6 A 7 -3.603 4.041 -5.232
76 2H6 A 7 2H6 A 7 -2.311 4.039 -4.052
77 H2 A 7 H2 A 7 -1.724 4.929 -9.217
78 1H5* C 8 1H5* C 8 2.270 11.291 -6.513
79 2H5* C 8 2H5* C 8 2.037 9.660 -5.849
80 H4* C 8 H4* C 8 2.233 9.907 -8.829
81 H3* C 8 H3* C 8 -0.069 10.945 -7.143
82 H2* C 8 1H2* C 8 -1.595 10.075 -8.699
83 2HO* C 8 2HO* C 8 0.278 9.189 -10.561
84 H1* C 8 H1* C 8 -0.233 7.721 -9.227
85 1H4 C 8 1H4 C 8 -3.797 6.586 -3.792
86 2H4 C 8 2H4 C 8 -4.966 6.494 -5.091
87 H5 C 8 H5 C 8 -1.518 7.284 -4.119
88 H6 C 8 H6 C 8 0.127 8.081 -5.747
89 1H5* C 9 1H5* C 9 -2.945 14.075 -10.062
90 2H5* C 9 2H5* C 9 -3.048 13.140 -8.555
91 H4* C 9 H4* C 9 -3.649 12.110 -11.361
92 H3* C 9 H3* C 9 -5.334 12.908 -8.968
93 H2* C 9 1H2* C 9 -6.863 11.196 -9.453
94 2HO* C 9 2HO* C 9 -5.559 11.037 -11.991
95 H1* C 9 H1* C 9 -5.013 9.272 -10.154
96 1H4 C 9 1H4 C 9 -5.349 9.285 -3.554
97 2H4 C 9 2H4 C 9 -6.736 8.345 -4.056
98 H5 C 9 H5 C 9 -3.941 10.484 -5.091
99 H6 C 9 H6 C 9 -3.532 11.016 -7.446
100 1H5* A 10 1H5* A 10 -10.273 13.509 -11.254
101 2H5* A 10 2H5* A 10 -9.563 14.224 -9.792
102 H4* A 10 H4* A 10 -10.381 11.383 -10.331
103 H3* A 10 H3* A 10 -10.533 13.388 -8.058
104 H2* A 10 1H2* A 10 -10.662 11.637 -6.508
105 2HO* A 10 2HO* A 10 -11.274 9.580 -7.030
106 H1* A 10 H1* A 10 -8.851 9.947 -7.724
107 H8 A 10 H8 A 10 -7.146 13.172 -7.860
108 1H6 A 10 1H6 A 10 -6.027 12.819 -1.817
109 2H6 A 10 2H6 A 10 -5.622 13.647 -3.304
110 H2 A 10 H2 A 10 -9.103 9.712 -2.853
111 1H5* U 11 1H5* U 11 -13.110 10.454 -6.629
112 2H5* U 11 2H5* U 11 -14.697 11.134 -7.046
113 H4* U 11 H4* U 11 -14.760 10.118 -4.806
114 H3* U 11 H3* U 11 -15.758 12.582 -5.407
115 H2* U 11 1H2* U 11 -13.913 13.877 -4.787
116 2HO* U 11 2HO* U 11 -15.759 13.605 -2.725
117 H1* U 11 H1* U 11 -13.397 12.277 -2.291
118 H3 U 11 H3 U 11 -9.495 14.373 -1.632
119 H5 U 11 H5 U 11 -9.775 14.283 -5.835
120 H6 U 11 H6 U 11 -11.905 13.149 -5.604
121 1H5* U 12 1H5* U 12 -18.950 10.224 -1.030
122 2H5* U 12 2H5* U 12 -17.795 11.531 -1.317
123 H4* U 12 H4* U 12 -16.818 8.702 -1.351
124 H3* U 12 H3* U 12 -18.251 9.512 0.819
125 H2* U 12 1H2* U 12 -17.123 11.480 1.292
126 2HO* U 12 2HO* U 12 -15.326 9.645 2.535
127 H1* U 12 H1* U 12 -14.407 10.310 0.736
128 H3 U 12 H3 U 12 -12.542 14.344 1.122
129 H5 U 12 H5 U 12 -16.239 15.236 -0.690
130 H6 U 12 H6 U 12 -16.776 12.878 -0.606
131 1H5* A 13 1H5* A 13 -18.540 7.365 -0.711
132 2H5* A 13 2H5* A 13 -19.261 5.750 -0.862
133 H4* A 13 H4* A 13 -17.807 5.698 -2.661
134 H3* A 13 H3* A 13 -16.878 4.305 -0.378
135 H2* A 13 1H2* A 13 -14.961 5.522 0.009
136 2HO* A 13 2HO* A 13 -13.741 3.921 -0.692
137 H1* A 13 H1* A 13 -14.682 6.350 -2.878
138 H8 A 13 H8 A 13 -14.967 7.731 0.724
139 1H6 A 13 1H6 A 13 -10.115 11.232 -0.701
140 2H6 A 13 2H6 A 13 -11.204 10.750 0.580
141 H2 A 13 H2 A 13 -11.330 8.934 -4.361
142 1H5* G 14 1H5* G 14 -14.239 1.175 -4.445
143 2H5* G 14 2H5* G 14 -14.064 2.243 -3.028
144 H4* G 14 H4* G 14 -15.751 3.201 -5.328
145 H3* G 14 H3* G 14 -12.763 2.700 -5.454
146 H2* G 14 1H2* G 14 -12.443 4.725 -6.567
147 2HO* G 14 2HO* G 14 -14.101 4.588 -8.103
148 H1* G 14 H1* G 14 -14.246 6.228 -5.127
149 H8 G 14 H8 G 14 -12.760 4.734 -2.355
150 H1 G 14 H1 G 14 -8.145 7.706 -5.593
151 1H2 G 14 1H2 G 14 -10.452 7.741 -8.207
152 2H2 G 14 2H2 G 14 -8.850 8.164 -7.647
153 1H5* G 15 1H5* G 15 -13.643 2.624 -10.984
154 2H5* G 15 2H5* G 15 -12.506 1.315 -10.570
155 H4* G 15 H4* G 15 -11.942 3.402 -12.229
156 H3* G 15 H3* G 15 -10.171 1.875 -10.296
157 H2* G 15 1H2* G 15 -8.347 3.225 -10.892
158 2HO* G 15 2HO* G 15 -8.308 4.488 -12.729
159 H1* G 15 H1* G 15 -9.714 5.613 -11.000
160 H8 G 15 H8 G 15 -10.982 3.886 -7.967
161 H1 G 15 H1 G 15 -5.029 6.015 -7.140
162 1H2 G 15 1H2 G 15 -5.070 6.521 -10.591
163 2H2 G 15 2H2 G 15 -4.172 6.636 -9.096
164 1H5* G 16 1H5* G 16 -7.646 2.648 -13.556
165 2H5* G 16 2H5* G 16 -7.442 1.050 -14.320
166 H4* G 16 H4* G 16 -5.301 2.171 -14.294
167 H3* G 16 H3* G 16 -5.627 0.085 -12.116
168 H2* G 16 1H2* G 16 -3.419 0.459 -11.424
169 2HO* G 16 2HO* G 16 -1.877 1.146 -12.742
170 H1* G 16 H1* G 16 -3.427 3.202 -11.735
171 H8 G 16 H8 G 16 -6.632 2.476 -10.077
172 H1 G 16 H1 G 16 -1.748 1.562 -6.089
173 1H2 G 16 1H2 G 16 0.222 1.697 -8.963
174 2H2 G 16 2H2 G 16 0.158 1.499 -7.226
175 1H5* A 17 1H5* A 17 -2.447 -4.216 -13.979
176 2H5* A 17 2H5* A 17 -3.487 -3.753 -12.618
177 H4* A 17 H4* A 17 -0.758 -2.640 -13.340
178 H3* A 17 H3* A 17 -1.962 -4.174 -11.019
179 H2* A 17 1H2* A 17 -0.467 -3.120 -9.542
180 2HO* A 17 2HO* A 17 1.174 -1.626 -10.594
181 H1* A 17 H1* A 17 -0.655 -0.603 -10.627
182 H8 A 17 H8 A 17 -4.159 -1.433 -10.710
183 1H6 A 17 1H6 A 17 -4.456 -1.252 -4.568
184 2H6 A 17 2H6 A 17 -5.385 -1.270 -6.050
185 H2 A 17 H2 A 17 -0.124 -1.385 -5.746
186 1H5* U 18 1H5* U 18 2.024 -5.521 -11.031
187 2H5* U 18 2H5* U 18 2.273 -7.255 -10.742
188 H4* U 18 H4* U 18 3.355 -5.992 -8.964
189 H3* U 18 H3* U 18 0.786 -7.422 -8.212
190 H2* U 18 1H2* U 18 1.119 -6.778 -5.965
191 2HO* U 18 2HO* U 18 3.424 -7.185 -5.958
192 H1* U 18 H1* U 18 1.844 -4.194 -6.505
193 H3 U 18 H3 U 18 -2.336 -4.197 -4.628
194 H5 U 18 H5 U 18 -2.963 -5.017 -8.715
195 H6 U 18 H6 U 18 -0.562 -5.237 -8.973
196 1H5* C 19 1H5* C 19 3.760 -9.845 -6.103
197 2H5* C 19 2H5* C 19 3.229 -11.526 -5.893
198 H4* C 19 H4* C 19 3.366 -10.253 -3.738
199 H3* C 19 H3* C 19 0.695 -11.295 -4.735
200 H2* C 19 1H2* C 19 -0.308 -10.575 -2.738
201 2HO* C 19 2HO* C 19 2.302 -10.079 -1.687
202 H1* C 19 H1* C 19 1.081 -8.192 -2.523
203 1H4 C 19 1H4 C 19 -4.054 -7.259 -6.605
204 2H4 C 19 2H4 C 19 -4.677 -6.939 -5.002
205 H5 C 19 H5 C 19 -1.828 -8.083 -7.015
206 H6 C 19 H6 C 19 0.272 -8.799 -5.979
207 1H5* U 20 1H5* U 20 0.886 -13.130 -1.108
208 2H5* U 20 2H5* U 20 0.325 -14.814 -1.119
209 H4* U 20 H4* U 20 -1.110 -13.507 0.355
210 H3* U 20 H3* U 20 -2.314 -14.315 -2.312
211 H2* U 20 1H2* U 20 -4.372 -13.400 -1.641
212 2HO* U 20 2HO* U 20 -4.264 -14.256 0.546
213 H1* U 20 H1* U 20 -3.336 -11.133 -0.483
214 H3 U 20 H3 U 20 -5.560 -9.820 -4.226
215 H5 U 20 H5 U 20 -1.960 -11.466 -5.677
216 H6 U 20 H6 U 20 -1.459 -12.194 -3.419
217 1H5* C 21 1H5* C 21 -5.142 -16.327 0.790
218 2H5* C 21 2H5* C 21 -5.670 -17.775 -0.090
219 H4* C 21 H4* C 21 -7.549 -16.285 0.719
220 H3* C 21 H3* C 21 -7.156 -16.887 -2.234
221 H2* C 21 1H2* C 21 -9.144 -15.726 -2.704
222 2HO* C 21 2HO* C 21 -10.421 -16.629 -1.025
223 H1* C 21 H1* C 21 -8.757 -13.675 -0.885
224 1H4 C 21 1H4 C 21 -5.514 -12.222 -6.477
225 2H4 C 21 2H4 C 21 -7.067 -11.427 -6.601
226 H5 C 21 H5 C 21 -4.924 -13.689 -4.657
227 H6 C 21 H6 C 21 -5.697 -14.713 -2.569
228 H3T C 21 H3T C 21 -8.732 -18.411 -1.767
Start of MODEL 12
1 1H5* G 1 1H5* G 1 -14.788 -4.858 -6.145
2 2H5* G 1 2H5* G 1 -16.433 -4.645 -6.799
3 H4* G 1 H4* G 1 -17.332 -5.455 -4.644
4 H3* G 1 H3* G 1 -14.404 -5.385 -3.858
5 H2* G 1 1H2* G 1 -14.721 -7.269 -2.490
6 2HO* G 1 2HO* G 1 -17.108 -6.265 -2.095
7 H1* G 1 H1* G 1 -16.352 -8.664 -4.214
8 H8 G 1 H8 G 1 -13.875 -7.483 -6.578
9 H1 G 1 H1 G 1 -11.124 -11.482 -2.447
10 1H2 G 1 1H2 G 1 -14.014 -11.026 -0.549
11 2H2 G 1 2H2 G 1 -12.451 -11.799 -0.695
12 H5T G 1 H5T G 1 -16.160 -2.694 -6.082
13 1H5* G 2 1H5* G 2 -15.850 -6.501 -0.458
14 2H5* G 2 2H5* G 2 -15.934 -5.075 0.609
15 H4* G 2 H4* G 2 -15.105 -6.732 2.036
16 H3* G 2 H3* G 2 -12.732 -5.453 0.639
17 H2* G 2 1H2* G 2 -11.291 -6.829 1.910
18 2HO* G 2 2HO* G 2 -13.621 -7.487 3.433
19 H1* G 2 H1* G 2 -12.735 -9.129 1.575
20 H8 G 2 H8 G 2 -12.880 -7.145 -1.619
21 H1 G 2 H1 G 2 -7.341 -10.220 -0.930
22 1H2 G 2 1H2 G 2 -8.420 -10.803 2.333
23 2H2 G 2 2H2 G 2 -7.168 -11.022 1.131
24 1H5* G 3 1H5* G 3 -11.788 -5.351 4.390
25 2H5* G 3 2H5* G 3 -10.933 -3.937 5.060
26 H4* G 3 H4* G 3 -9.587 -5.992 5.248
27 H3* G 3 H3* G 3 -8.675 -3.978 3.165
28 H2* G 3 1H2* G 3 -6.762 -5.296 2.798
29 2HO* G 3 2HO* G 3 -6.001 -5.916 4.729
30 H1* G 3 H1* G 3 -8.059 -7.734 2.921
31 H8 G 3 H8 G 3 -10.210 -5.488 0.869
32 H1 G 3 H1 G 3 -5.002 -7.333 -2.312
33 1H2 G 3 1H2 G 3 -3.876 -8.434 0.800
34 2H2 G 3 2H2 G 3 -3.553 -8.265 -0.911
35 1H5* A 4 1H5* A 4 -5.007 -3.049 5.859
36 2H5* A 4 2H5* A 4 -4.338 -1.788 4.805
37 H4* A 4 H4* A 4 -3.488 -4.421 4.889
38 H3* A 4 H3* A 4 -3.327 -2.270 2.753
39 H2* A 4 1H2* A 4 -2.272 -3.797 1.318
40 2HO* A 4 2HO* A 4 -2.068 -5.984 2.935
41 H1* A 4 H1* A 4 -3.804 -5.999 1.996
42 H8 A 4 H8 A 4 -6.426 -3.541 1.569
43 1H6 A 4 1H6 A 4 -5.467 -3.519 -4.515
44 2H6 A 4 2H6 A 4 -6.563 -3.052 -3.234
45 H2 A 4 H2 A 4 -1.964 -5.541 -2.560
46 1H5* U 5 1H5* U 5 0.829 -3.901 2.985
47 2H5* U 5 2H5* U 5 1.800 -2.453 3.323
48 H4* U 5 H4* U 5 2.857 -3.680 1.513
49 H3* U 5 H3* U 5 1.383 -1.146 0.731
50 H2* U 5 1H2* U 5 2.079 -1.416 -1.498
51 2HO* U 5 2HO* U 5 3.592 -3.675 -1.310
52 H1* U 5 H1* U 5 1.676 -4.135 -1.639
53 H3 U 5 H3 U 5 -1.494 -2.182 -4.273
54 H5 U 5 H5 U 5 -2.916 -1.666 -0.341
55 H6 U 5 H6 U 5 -0.799 -2.524 0.470
56 1H5* C 6 1H5* C 6 4.790 -0.974 -1.544
57 2H5* C 6 2H5* C 6 5.755 0.371 -0.903
58 H4* C 6 H4* C 6 5.840 0.784 -3.200
59 H3* C 6 H3* C 6 3.430 2.216 -2.036
60 H2* C 6 1H2* C 6 2.961 3.104 -4.157
61 2HO* C 6 2HO* C 6 4.482 2.924 -5.889
62 H1* C 6 H1* C 6 3.555 0.817 -5.592
63 1H4 C 6 1H4 C 6 -2.643 0.590 -3.217
64 2H4 C 6 2H4 C 6 -2.770 0.790 -4.951
65 H5 C 6 H5 C 6 -0.540 0.533 -2.046
66 H6 C 6 H6 C 6 1.894 0.663 -2.282
67 1H5* A 7 1H5* A 7 5.366 7.502 -1.526
68 2H5* A 7 2H5* A 7 3.933 6.490 -1.247
69 H4* A 7 H4* A 7 5.384 6.940 -3.886
70 H3* A 7 H3* A 7 2.686 7.707 -2.734
71 H2* A 7 1H2* A 7 1.712 7.527 -4.860
72 2HO* A 7 2HO* A 7 2.798 8.039 -6.597
73 H1* A 7 H1* A 7 3.083 5.271 -5.674
74 H8 A 7 H8 A 7 1.954 4.910 -2.090
75 1H6 A 7 1H6 A 7 -3.549 3.197 -4.259
76 2H6 A 7 2H6 A 7 -2.551 3.335 -2.828
77 H2 A 7 H2 A 7 -1.103 4.716 -7.707
78 1H5* C 8 1H5* C 8 1.000 11.908 -5.182
79 2H5* C 8 2H5* C 8 0.468 10.308 -4.624
80 H4* C 8 H4* C 8 1.366 10.900 -7.472
81 H3* C 8 H3* C 8 -1.370 10.904 -6.155
82 H2* C 8 1H2* C 8 -2.291 10.011 -8.138
83 2HO* C 8 2HO* C 8 0.250 10.545 -9.341
84 H1* C 8 H1* C 8 -0.327 8.155 -8.571
85 1H4 C 8 1H4 C 8 -4.198 5.757 -3.765
86 2H4 C 8 2H4 C 8 -5.105 5.464 -5.232
87 H5 C 8 H5 C 8 -2.151 7.020 -3.711
88 H6 C 8 H6 C 8 -0.532 8.283 -5.045
89 1H5* C 9 1H5* C 9 -2.270 12.725 -9.782
90 2H5* C 9 2H5* C 9 -3.590 13.897 -9.591
91 H4* C 9 H4* C 9 -4.130 11.866 -11.032
92 H3* C 9 H3* C 9 -5.718 12.590 -8.550
93 H2* C 9 1H2* C 9 -7.200 10.824 -8.979
94 2HO* C 9 2HO* C 9 -5.999 10.629 -11.568
95 H1* C 9 H1* C 9 -5.308 8.993 -9.829
96 1H4 C 9 1H4 C 9 -5.387 8.679 -3.236
97 2H4 C 9 2H4 C 9 -6.743 7.694 -3.737
98 H5 C 9 H5 C 9 -4.101 10.028 -4.760
99 H6 C 9 H6 C 9 -3.821 10.707 -7.095
100 1H5* A 10 1H5* A 10 -10.797 13.033 -10.615
101 2H5* A 10 2H5* A 10 -10.044 13.678 -9.142
102 H4* A 10 H4* A 10 -10.758 10.840 -9.841
103 H3* A 10 H3* A 10 -10.948 12.695 -7.447
104 H2* A 10 1H2* A 10 -10.951 10.852 -6.002
105 2HO* A 10 2HO* A 10 -11.595 9.351 -8.334
106 H1* A 10 H1* A 10 -9.085 9.336 -7.355
107 H8 A 10 H8 A 10 -7.578 12.671 -7.346
108 1H6 A 10 1H6 A 10 -6.233 12.012 -1.376
109 2H6 A 10 2H6 A 10 -5.933 12.957 -2.817
110 H2 A 10 H2 A 10 -9.143 8.783 -2.519
111 1H5* U 11 1H5* U 11 -13.402 9.576 -6.219
112 2H5* U 11 2H5* U 11 -15.031 10.221 -6.513
113 H4* U 11 H4* U 11 -14.960 9.012 -4.370
114 H3* U 11 H3* U 11 -16.092 11.466 -4.709
115 H2* U 11 1H2* U 11 -14.239 12.768 -4.093
116 2HO* U 11 2HO* U 11 -14.653 13.557 -2.026
117 H1* U 11 H1* U 11 -13.605 11.000 -1.734
118 H3 U 11 H3 U 11 -9.747 13.152 -0.977
119 H5 U 11 H5 U 11 -10.189 13.528 -5.151
120 H6 U 11 H6 U 11 -12.257 12.275 -4.981
121 1H5* U 12 1H5* U 12 -18.646 7.665 -0.927
122 2H5* U 12 2H5* U 12 -17.777 9.187 -0.710
123 H4* U 12 H4* U 12 -16.378 6.584 -1.326
124 H3* U 12 H3* U 12 -17.782 6.967 0.977
125 H2* U 12 1H2* U 12 -16.856 8.972 1.651
126 2HO* U 12 2HO* U 12 -16.319 7.656 3.370
127 H1* U 12 H1* U 12 -14.058 8.206 0.852
128 H3 U 12 H3 U 12 -12.769 12.352 1.913
129 H5 U 12 H5 U 12 -16.451 13.012 -0.023
130 H6 U 12 H6 U 12 -16.680 10.613 -0.266
131 1H5* A 13 1H5* A 13 -17.976 4.960 -0.705
132 2H5* A 13 2H5* A 13 -18.553 3.296 -0.932
133 H4* A 13 H4* A 13 -17.293 3.526 -2.854
134 H3* A 13 H3* A 13 -16.017 2.055 -0.818
135 H2* A 13 1H2* A 13 -14.249 3.482 -0.415
136 2HO* A 13 2HO* A 13 -13.672 2.043 -2.765
137 H1* A 13 H1* A 13 -14.236 4.551 -3.236
138 H8 A 13 H8 A 13 -14.340 5.522 0.504
139 1H6 A 13 1H6 A 13 -10.291 9.909 -0.957
140 2H6 A 13 2H6 A 13 -11.135 9.119 0.357
141 H2 A 13 H2 A 13 -11.571 7.850 -4.735
142 1H5* G 14 1H5* G 14 -13.416 -0.359 -5.441
143 2H5* G 14 2H5* G 14 -13.174 0.564 -3.936
144 H4* G 14 H4* G 14 -15.147 1.579 -5.982
145 H3* G 14 H3* G 14 -12.135 1.460 -6.322
146 H2* G 14 1H2* G 14 -12.126 3.625 -7.192
147 2HO* G 14 2HO* G 14 -14.810 3.053 -7.775
148 H1* G 14 H1* G 14 -14.010 4.719 -5.510
149 H8 G 14 H8 G 14 -12.178 3.178 -2.990
150 H1 G 14 H1 G 14 -8.217 7.103 -6.068
151 1H2 G 14 1H2 G 14 -10.622 7.024 -8.593
152 2H2 G 14 2H2 G 14 -9.075 7.634 -8.046
153 1H5* G 15 1H5* G 15 -13.297 1.906 -10.446
154 2H5* G 15 2H5* G 15 -12.549 0.634 -11.449
155 H4* G 15 H4* G 15 -11.994 2.873 -12.296
156 H3* G 15 H3* G 15 -9.777 1.349 -10.895
157 H2* G 15 1H2* G 15 -8.266 3.082 -11.390
158 2HO* G 15 2HO* G 15 -10.176 3.726 -13.351
159 H1* G 15 H1* G 15 -9.963 5.166 -10.821
160 H8 G 15 H8 G 15 -10.615 2.646 -8.177
161 H1 G 15 H1 G 15 -4.985 5.505 -7.316
162 1H2 G 15 1H2 G 15 -5.440 6.692 -10.563
163 2H2 G 15 2H2 G 15 -4.425 6.640 -9.139
164 1H5* G 16 1H5* G 16 -7.500 2.751 -14.030
165 2H5* G 16 2H5* G 16 -7.223 1.302 -15.034
166 H4* G 16 H4* G 16 -5.105 2.363 -14.821
167 H3* G 16 H3* G 16 -5.442 0.183 -12.734
168 H2* G 16 1H2* G 16 -3.263 0.590 -11.971
169 2HO* G 16 2HO* G 16 -2.090 0.722 -13.844
170 H1* G 16 H1* G 16 -3.345 3.346 -12.189
171 H8 G 16 H8 G 16 -6.564 2.373 -10.631
172 H1 G 16 H1 G 16 -1.710 1.736 -6.551
173 1H2 G 16 1H2 G 16 0.301 2.108 -9.374
174 2H2 G 16 2H2 G 16 0.217 1.859 -7.645
175 1H5* A 17 1H5* A 17 -4.203 -4.276 -13.735
176 2H5* A 17 2H5* A 17 -4.831 -2.841 -12.899
177 H4* A 17 H4* A 17 -2.008 -2.841 -13.970
178 H3* A 17 H3* A 17 -3.066 -4.201 -11.474
179 H2* A 17 1H2* A 17 -1.164 -3.496 -10.281
180 2HO* A 17 2HO* A 17 0.569 -3.796 -11.541
181 H1* A 17 H1* A 17 -1.068 -0.948 -11.306
182 H8 A 17 H8 A 17 -4.633 -1.152 -10.796
183 1H6 A 17 1H6 A 17 -3.878 -1.203 -4.690
184 2H6 A 17 2H6 A 17 -5.029 -1.010 -5.994
185 H2 A 17 H2 A 17 0.120 -1.979 -6.590
186 1H5* U 18 1H5* U 18 0.512 -5.819 -11.716
187 2H5* U 18 2H5* U 18 0.666 -7.581 -11.562
188 H4* U 18 H4* U 18 1.937 -6.525 -9.777
189 H3* U 18 H3* U 18 -0.675 -7.835 -8.963
190 H2* U 18 1H2* U 18 -0.226 -7.336 -6.717
191 2HO* U 18 2HO* U 18 2.443 -6.865 -7.603
192 H1* U 18 H1* U 18 0.825 -4.815 -7.131
193 H3 U 18 H3 U 18 -3.116 -4.485 -4.806
194 H5 U 18 H5 U 18 -4.242 -4.840 -8.852
195 H6 U 18 H6 U 18 -1.928 -5.326 -9.387
196 1H5* C 19 1H5* C 19 2.474 -9.453 -6.506
197 2H5* C 19 2H5* C 19 2.354 -11.222 -6.423
198 H4* C 19 H4* C 19 2.575 -10.345 -4.164
199 H3* C 19 H3* C 19 -0.179 -11.345 -4.951
200 H2* C 19 1H2* C 19 -0.957 -10.928 -2.773
201 2HO* C 19 2HO* C 19 0.323 -11.156 -1.108
202 H1* C 19 H1* C 19 0.323 -8.519 -2.421
203 1H4 C 19 1H4 C 19 -5.164 -7.474 -5.996
204 2H4 C 19 2H4 C 19 -5.597 -7.127 -4.336
205 H5 C 19 H5 C 19 -3.018 -8.354 -6.642
206 H6 C 19 H6 C 19 -0.822 -9.086 -5.843
207 1H5* U 20 1H5* U 20 0.622 -13.199 -1.335
208 2H5* U 20 2H5* U 20 -0.043 -14.842 -1.243
209 H4* U 20 H4* U 20 -0.995 -13.330 0.498
210 H3* U 20 H3* U 20 -2.795 -14.437 -1.682
211 H2* U 20 1H2* U 20 -4.650 -13.434 -0.655
212 2HO* U 20 2HO* U 20 -4.537 -12.581 1.471
213 H1* U 20 H1* U 20 -3.399 -11.075 0.067
214 H3 U 20 H3 U 20 -6.501 -9.896 -3.026
215 H5 U 20 H5 U 20 -3.458 -11.746 -5.273
216 H6 U 20 H6 U 20 -2.385 -12.371 -3.191
217 1H5* C 21 1H5* C 21 -5.616 -17.305 1.914
218 2H5* C 21 2H5* C 21 -6.256 -17.507 0.271
219 H4* C 21 H4* C 21 -7.423 -16.097 2.499
220 H3* C 21 H3* C 21 -8.180 -16.710 -0.374
221 H2* C 21 1H2* C 21 -9.983 -15.216 -0.231
222 2HO* C 21 2HO* C 21 -11.058 -15.265 1.586
223 H1* C 21 H1* C 21 -8.689 -13.260 1.231
224 1H4 C 21 1H4 C 21 -7.099 -12.446 -5.147
225 2H4 C 21 2H4 C 21 -8.597 -11.567 -4.939
226 H5 C 21 H5 C 21 -6.114 -13.805 -3.420
227 H6 C 21 H6 C 21 -6.357 -14.626 -1.126
228 H3T C 21 H3T C 21 -8.901 -18.350 0.778
Start of MODEL 13
1 1H5* G 1 1H5* G 1 -14.742 -4.287 -13.541
2 2H5* G 1 2H5* G 1 -14.954 -3.254 -12.102
3 H4* G 1 H4* G 1 -15.933 -5.513 -11.805
4 H3* G 1 H3* G 1 -13.452 -4.807 -10.211
5 H2* G 1 1H2* G 1 -13.553 -6.875 -9.111
6 2HO* G 1 2HO* G 1 -15.962 -6.682 -8.900
7 H1* G 1 H1* G 1 -14.256 -8.390 -11.307
8 H8 G 1 H8 G 1 -11.668 -6.454 -12.868
9 H1 G 1 H1 G 1 -9.113 -9.880 -8.138
10 1H2 G 1 1H2 G 1 -12.410 -10.312 -7.088
11 2H2 G 1 2H2 G 1 -10.716 -10.646 -6.806
12 H5T G 1 H5T G 1 -12.843 -3.136 -13.005
13 1H5* G 2 1H5* G 2 -15.538 -4.188 -5.168
14 2H5* G 2 2H5* G 2 -13.827 -4.105 -5.660
15 H4* G 2 H4* G 2 -15.436 -6.337 -4.420
16 H3* G 2 H3* G 2 -12.702 -5.069 -4.084
17 H2* G 2 1H2* G 2 -11.889 -7.059 -3.131
18 2HO* G 2 2HO* G 2 -14.066 -7.319 -1.960
19 H1* G 2 H1* G 2 -13.126 -8.782 -4.881
20 H8 G 2 H8 G 2 -12.033 -6.382 -7.313
21 H1 G 2 H1 G 2 -6.921 -8.922 -4.477
22 1H2 G 2 1H2 G 2 -9.189 -10.039 -2.076
23 2H2 G 2 2H2 G 2 -7.527 -9.969 -2.615
24 1H5* G 3 1H5* G 3 -12.414 -3.378 1.231
25 2H5* G 3 2H5* G 3 -11.587 -3.246 -0.343
26 H4* G 3 H4* G 3 -11.831 -5.636 1.539
27 H3* G 3 H3* G 3 -9.580 -3.914 0.458
28 H2* G 3 1H2* G 3 -8.123 -5.748 0.553
29 2HO* G 3 2HO* G 3 -9.045 -6.395 2.707
30 H1* G 3 H1* G 3 -9.917 -7.653 -0.333
31 H8 G 3 H8 G 3 -10.680 -5.270 -2.847
32 H1 G 3 H1 G 3 -4.489 -6.700 -3.307
33 1H2 G 3 1H2 G 3 -4.871 -8.021 -0.103
34 2H2 G 3 2H2 G 3 -3.802 -7.704 -1.452
35 1H5* A 4 1H5* A 4 -7.573 -5.010 4.161
36 2H5* A 4 2H5* A 4 -7.097 -3.479 4.924
37 H4* A 4 H4* A 4 -5.122 -4.880 4.641
38 H3* A 4 H3* A 4 -5.375 -2.496 2.785
39 H2* A 4 1H2* A 4 -3.261 -2.979 1.874
40 2HO* A 4 2HO* A 4 -2.548 -3.658 4.199
41 H1* A 4 H1* A 4 -3.593 -5.699 1.719
42 H8 A 4 H8 A 4 -6.831 -4.062 0.747
43 1H6 A 4 1H6 A 4 -4.416 -3.041 -4.823
44 2H6 A 4 2H6 A 4 -5.880 -3.001 -3.866
45 H2 A 4 H2 A 4 -1.124 -4.461 -2.118
46 1H5* U 5 1H5* U 5 -1.586 -2.118 4.689
47 2H5* U 5 2H5* U 5 -1.209 -0.433 5.104
48 H4* U 5 H4* U 5 0.570 -1.412 3.707
49 H3* U 5 H3* U 5 -1.180 0.751 2.497
50 H2* U 5 1H2* U 5 0.118 0.716 0.545
51 2HO* U 5 2HO* U 5 2.015 -0.791 2.061
52 H1* U 5 H1* U 5 0.458 -2.019 0.415
53 H3 U 5 H3 U 5 -2.153 -1.029 -3.153
54 H5 U 5 H5 U 5 -4.712 -0.489 0.146
55 H6 U 5 H6 U 5 -2.809 -0.858 1.604
56 1H5* C 6 1H5* C 6 2.865 1.808 1.850
57 2H5* C 6 2H5* C 6 3.140 3.542 2.108
58 H4* C 6 H4* C 6 3.944 2.838 -0.117
59 H3* C 6 H3* C 6 1.522 4.659 0.028
60 H2* C 6 1H2* C 6 1.499 4.797 -2.316
61 2HO* C 6 2HO* C 6 3.243 4.313 -3.581
62 H1* C 6 H1* C 6 2.141 2.154 -2.815
63 1H4 C 6 1H4 C 6 -4.392 2.598 -1.762
64 2H4 C 6 2H4 C 6 -4.178 2.551 -3.497
65 H5 C 6 H5 C 6 -2.550 2.655 -0.208
66 H6 C 6 H6 C 6 -0.112 2.714 0.017
67 1H5* A 7 1H5* A 7 4.554 6.214 -2.396
68 2H5* A 7 2H5* A 7 4.690 7.981 -2.505
69 H4* A 7 H4* A 7 4.257 6.651 -4.691
70 H3* A 7 H3* A 7 3.698 9.231 -4.018
71 H2* A 7 1H2* A 7 1.545 8.951 -3.186
72 2HO* A 7 2HO* A 7 0.350 9.982 -4.615
73 H1* A 7 H1* A 7 0.731 7.005 -5.323
74 H8 A 7 H8 A 7 0.944 7.683 -1.516
75 1H6 A 7 1H6 A 7 -4.671 5.181 -1.204
76 2H6 A 7 2H6 A 7 -3.398 5.967 -0.296
77 H2 A 7 H2 A 7 -3.239 4.866 -5.450
78 1H5* C 8 1H5* C 8 1.453 11.146 -8.325
79 2H5* C 8 2H5* C 8 1.361 9.951 -7.016
80 H4* C 8 H4* C 8 1.906 8.813 -9.704
81 H3* C 8 H3* C 8 -0.643 10.325 -9.043
82 H2* C 8 1H2* C 8 -1.896 8.679 -10.146
83 2HO* C 8 2HO* C 8 0.560 7.638 -11.176
84 H1* C 8 H1* C 8 -0.434 6.502 -9.263
85 1H4 C 8 1H4 C 8 -4.790 7.954 -4.513
86 2H4 C 8 2H4 C 8 -5.718 7.061 -5.696
87 H5 C 8 H5 C 8 -2.526 8.693 -4.896
88 H6 C 8 H6 C 8 -0.640 8.662 -6.461
89 1H5* C 9 1H5* C 9 -1.129 9.231 -13.328
90 2H5* C 9 2H5* C 9 -1.155 10.842 -14.075
91 H4* C 9 H4* C 9 -2.958 9.697 -15.097
92 H3* C 9 H3* C 9 -3.884 11.396 -12.761
93 H2* C 9 1H2* C 9 -6.106 10.778 -13.178
94 2HO* C 9 2HO* C 9 -6.733 9.746 -15.114
95 H1* C 9 H1* C 9 -5.614 8.127 -13.776
96 1H4 C 9 1H4 C 9 -5.896 8.903 -7.191
97 2H4 C 9 2H4 C 9 -7.448 8.262 -7.677
98 H5 C 9 H5 C 9 -4.159 9.484 -8.757
99 H6 C 9 H6 C 9 -3.547 9.597 -11.125
100 1H5* A 10 1H5* A 10 -7.437 14.919 -14.542
101 2H5* A 10 2H5* A 10 -6.608 14.292 -13.102
102 H4* A 10 H4* A 10 -8.594 12.747 -14.824
103 H3* A 10 H3* A 10 -8.763 14.118 -12.121
104 H2* A 10 1H2* A 10 -10.231 12.463 -11.396
105 2HO* A 10 2HO* A 10 -11.130 10.920 -12.908
106 H1* A 10 H1* A 10 -8.977 10.334 -12.587
107 H8 A 10 H8 A 10 -6.143 11.918 -11.084
108 1H6 A 10 1H6 A 10 -8.323 10.839 -5.437
109 2H6 A 10 2H6 A 10 -6.916 11.293 -6.368
110 H2 A 10 H2 A 10 -11.673 10.189 -8.377
111 1H5* U 11 1H5* U 11 -12.082 12.606 -11.276
112 2H5* U 11 2H5* U 11 -13.220 13.951 -11.121
113 H4* U 11 H4* U 11 -12.959 12.515 -9.050
114 H3* U 11 H3* U 11 -13.433 15.188 -9.187
115 H2* U 11 1H2* U 11 -11.191 15.922 -9.070
116 2HO* U 11 2HO* U 11 -10.939 15.943 -6.451
117 H1* U 11 H1* U 11 -10.538 13.944 -6.896
118 H3 U 11 H3 U 11 -6.182 14.929 -7.072
119 H5 U 11 H5 U 11 -7.375 15.400 -11.085
120 H6 U 11 H6 U 11 -9.633 14.818 -10.413
121 1H5* U 12 1H5* U 12 -15.873 14.475 -4.072
122 2H5* U 12 2H5* U 12 -14.450 13.878 -3.201
123 H4* U 12 H4* U 12 -16.045 12.551 -5.389
124 H3* U 12 H3* U 12 -15.949 12.153 -2.698
125 H2* U 12 1H2* U 12 -13.691 11.686 -2.452
126 2HO* U 12 2HO* U 12 -13.465 9.259 -2.732
127 H1* U 12 H1* U 12 -13.497 10.002 -4.924
128 H3 U 12 H3 U 12 -9.087 9.923 -4.014
129 H5 U 12 H5 U 12 -10.058 14.011 -3.681
130 H6 U 12 H6 U 12 -12.379 13.424 -4.070
131 1H5* A 13 1H5* A 13 -18.758 9.049 -5.254
132 2H5* A 13 2H5* A 13 -19.661 7.837 -4.325
133 H4* A 13 H4* A 13 -18.402 6.188 -5.214
134 H3* A 13 H3* A 13 -16.650 7.039 -3.369
135 H2* A 13 1H2* A 13 -15.881 8.932 -4.606
136 2HO* A 13 2HO* A 13 -14.022 7.830 -3.974
137 H1* A 13 H1* A 13 -15.429 7.240 -7.063
138 H8 A 13 H8 A 13 -17.106 10.487 -5.779
139 1H6 A 13 1H6 A 13 -14.680 13.216 -10.710
140 2H6 A 13 2H6 A 13 -15.580 13.447 -9.233
141 H2 A 13 H2 A 13 -13.542 8.882 -10.836
142 1H5* G 14 1H5* G 14 -16.539 3.107 -5.485
143 2H5* G 14 2H5* G 14 -15.307 1.852 -5.776
144 H4* G 14 H4* G 14 -16.250 3.264 -7.775
145 H3* G 14 H3* G 14 -13.320 2.786 -7.161
146 H2* G 14 1H2* G 14 -12.705 3.973 -9.082
147 2HO* G 14 2HO* G 14 -14.293 4.574 -10.674
148 H1* G 14 H1* G 14 -14.589 5.978 -8.877
149 H8 G 14 H8 G 14 -13.408 5.715 -5.457
150 H1 G 14 H1 G 14 -8.714 7.881 -9.172
151 1H2 G 14 1H2 G 14 -10.743 6.855 -11.814
152 2H2 G 14 2H2 G 14 -9.238 7.586 -11.307
153 1H5* G 15 1H5* G 15 -12.080 -0.666 -11.568
154 2H5* G 15 2H5* G 15 -11.206 -0.268 -10.067
155 H4* G 15 H4* G 15 -11.377 1.162 -12.715
156 H3* G 15 H3* G 15 -9.271 0.549 -10.617
157 H2* G 15 1H2* G 15 -8.002 2.358 -11.375
158 2HO* G 15 2HO* G 15 -8.753 3.492 -13.371
159 H1* G 15 H1* G 15 -10.097 4.096 -11.822
160 H8 G 15 H8 G 15 -10.980 2.834 -8.563
161 H1 G 15 H1 G 15 -5.462 5.992 -8.167
162 1H2 G 15 1H2 G 15 -5.413 5.705 -11.641
163 2H2 G 15 2H2 G 15 -4.612 6.280 -10.197
164 1H5* G 16 1H5* G 16 -6.964 1.843 -13.647
165 2H5* G 16 2H5* G 16 -6.092 0.414 -14.262
166 H4* G 16 H4* G 16 -4.546 2.275 -14.070
167 H3* G 16 H3* G 16 -4.336 0.214 -11.857
168 H2* G 16 1H2* G 16 -2.529 1.380 -10.928
169 2HO* G 16 2HO* G 16 -1.986 1.986 -13.445
170 H1* G 16 H1* G 16 -3.517 3.922 -11.328
171 H8 G 16 H8 G 16 -6.424 2.057 -10.080
172 H1 G 16 H1 G 16 -2.082 2.770 -5.472
173 1H2 G 16 1H2 G 16 0.055 3.723 -8.056
174 2H2 G 16 2H2 G 16 -0.155 3.447 -6.342
175 1H5* A 17 1H5* A 17 -0.337 0.428 -13.219
176 2H5* A 17 2H5* A 17 0.265 -1.217 -13.517
177 H4* A 17 H4* A 17 1.798 -0.074 -12.009
178 H3* A 17 H3* A 17 0.032 -2.212 -10.783
179 H2* A 17 1H2* A 17 1.112 -1.924 -8.714
180 2HO* A 17 2HO* A 17 3.231 -1.445 -10.145
181 H1* A 17 H1* A 17 1.227 0.819 -8.786
182 H8 A 17 H8 A 17 -2.083 -0.412 -10.142
183 1H6 A 17 1H6 A 17 -4.038 -0.783 -4.318
184 2H6 A 17 2H6 A 17 -4.516 -0.858 -5.999
185 H2 A 17 H2 A 17 0.385 0.004 -4.255
186 1H5* U 18 1H5* U 18 3.824 -3.146 -9.528
187 2H5* U 18 2H5* U 18 4.215 -4.867 -9.721
188 H4* U 18 H4* U 18 4.598 -4.270 -7.407
189 H3* U 18 H3* U 18 2.077 -5.868 -7.942
190 H2* U 18 1H2* U 18 1.637 -5.948 -5.634
191 2HO* U 18 2HO* U 18 4.335 -5.069 -5.326
192 H1* U 18 H1* U 18 2.339 -3.348 -5.073
193 H3 U 18 H3 U 18 -2.146 -3.297 -4.530
194 H5 U 18 H5 U 18 -1.664 -3.827 -8.683
195 H6 U 18 H6 U 18 0.726 -4.011 -8.317
196 1H5* C 19 1H5* C 19 3.940 -7.671 -4.880
197 2H5* C 19 2H5* C 19 4.122 -9.431 -5.013
198 H4* C 19 H4* C 19 3.065 -9.015 -2.901
199 H3* C 19 H3* C 19 1.091 -9.862 -5.055
200 H2* C 19 1H2* C 19 -0.581 -9.935 -3.398
201 2HO* C 19 2HO* C 19 -0.128 -9.919 -1.209
202 H1* C 19 H1* C 19 0.200 -7.623 -2.106
203 1H4 C 19 1H4 C 19 -3.528 -6.093 -7.380
204 2H4 C 19 2H4 C 19 -4.583 -5.995 -5.988
205 H5 C 19 H5 C 19 -1.236 -6.817 -7.248
206 H6 C 19 H6 C 19 0.533 -7.627 -5.761
207 1H5* U 20 1H5* U 20 0.509 -12.378 -1.916
208 2H5* U 20 2H5* U 20 -0.060 -14.009 -2.331
209 H4* U 20 H4* U 20 -1.717 -12.747 -0.963
210 H3* U 20 H3* U 20 -2.391 -13.491 -3.828
211 H2* U 20 1H2* U 20 -4.551 -12.619 -3.543
212 2HO* U 20 2HO* U 20 -4.984 -13.554 -1.494
213 H1* U 20 H1* U 20 -3.822 -10.411 -2.043
214 H3 U 20 H3 U 20 -5.336 -8.633 -5.919
215 H5 U 20 H5 U 20 -1.696 -10.459 -7.009
216 H6 U 20 H6 U 20 -1.555 -11.372 -4.767
217 1H5* C 21 1H5* C 21 -6.288 -17.131 -3.279
218 2H5* C 21 2H5* C 21 -5.876 -16.042 -4.619
219 H4* C 21 H4* C 21 -8.055 -15.773 -2.549
220 H3* C 21 H3* C 21 -7.790 -15.600 -5.567
221 H2* C 21 1H2* C 21 -9.622 -14.138 -5.656
222 2HO* C 21 2HO* C 21 -11.148 -14.983 -4.356
223 H1* C 21 H1* C 21 -8.992 -12.662 -3.408
224 1H4 C 21 1H4 C 21 -5.405 -10.259 -8.421
225 2H4 C 21 2H4 C 21 -6.968 -9.490 -8.586
226 H5 C 21 H5 C 21 -4.953 -11.995 -6.816
227 H6 C 21 H6 C 21 -5.897 -13.368 -5.021
228 H3T C 21 H3T C 21 -9.787 -16.722 -3.854
Start of MODEL 14
1 1H5* G 1 1H5* G 1 -10.768 -2.526 -9.029
2 2H5* G 1 2H5* G 1 -12.115 -1.449 -9.484
3 H4* G 1 H4* G 1 -13.686 -3.113 -8.982
4 H3* G 1 H3* G 1 -11.600 -4.128 -7.028
5 H2* G 1 1H2* G 1 -12.531 -6.283 -7.149
6 2HO* G 1 2HO* G 1 -14.737 -5.072 -8.507
7 H1* G 1 H1* G 1 -12.964 -6.305 -9.865
8 H8 G 1 H8 G 1 -9.703 -4.927 -10.083
9 H1 G 1 H1 G 1 -9.241 -10.578 -7.169
10 1H2 G 1 1H2 G 1 -12.686 -10.292 -6.726
11 2H2 G 1 2H2 G 1 -11.238 -11.240 -6.470
12 H5T G 1 H5T G 1 -12.607 -1.438 -7.164
13 1H5* G 2 1H5* G 2 -15.202 -5.637 -4.268
14 2H5* G 2 2H5* G 2 -14.630 -4.623 -2.916
15 H4* G 2 H4* G 2 -14.930 -7.062 -2.356
16 H3* G 2 H3* G 2 -12.175 -5.791 -2.282
17 H2* G 2 1H2* G 2 -11.267 -7.805 -1.476
18 2HO* G 2 2HO* G 2 -12.397 -9.094 -0.239
19 H1* G 2 H1* G 2 -12.664 -9.483 -3.137
20 H8 G 2 H8 G 2 -11.782 -6.710 -5.376
21 H1 G 2 H1 G 2 -6.565 -9.972 -3.716
22 1H2 G 2 1H2 G 2 -8.605 -11.393 -1.273
23 2H2 G 2 2H2 G 2 -7.017 -11.305 -2.001
24 1H5* G 3 1H5* G 3 -12.142 -8.084 2.297
25 2H5* G 3 2H5* G 3 -12.156 -6.406 2.903
26 H4* G 3 H4* G 3 -10.344 -7.718 3.930
27 H3* G 3 H3* G 3 -9.511 -5.657 1.861
28 H2* G 3 1H2* G 3 -7.250 -6.114 2.366
29 2HO* G 3 2HO* G 3 -8.090 -6.557 4.776
30 H1* G 3 H1* G 3 -7.514 -8.835 2.400
31 H8 G 3 H8 G 3 -9.718 -7.478 -0.322
32 H1 G 3 H1 G 3 -3.567 -7.450 -1.973
33 1H2 G 3 1H2 G 3 -2.983 -8.204 1.382
34 2H2 G 3 2H2 G 3 -2.304 -7.896 -0.201
35 1H5* A 4 1H5* A 4 -7.150 -4.753 5.232
36 2H5* A 4 2H5* A 4 -6.622 -3.059 5.217
37 H4* A 4 H4* A 4 -4.805 -4.879 4.939
38 H3* A 4 H3* A 4 -5.191 -2.537 3.044
39 H2* A 4 1H2* A 4 -3.265 -3.208 1.875
40 2HO* A 4 2HO* A 4 -2.695 -4.585 4.268
41 H1* A 4 H1* A 4 -3.754 -5.927 1.988
42 H8 A 4 H8 A 4 -6.990 -4.310 1.116
43 1H6 A 4 1H6 A 4 -4.924 -3.594 -4.640
44 2H6 A 4 2H6 A 4 -6.327 -3.510 -3.599
45 H2 A 4 H2 A 4 -1.459 -4.840 -2.062
46 1H5* U 5 1H5* U 5 -1.188 -2.779 4.104
47 2H5* U 5 2H5* U 5 -0.451 -1.198 4.435
48 H4* U 5 H4* U 5 0.844 -2.462 2.748
49 H3* U 5 H3* U 5 -0.627 0.041 1.861
50 H2* U 5 1H2* U 5 0.324 -0.179 -0.273
51 2HO* U 5 2HO* U 5 2.195 -1.813 1.077
52 H1* U 5 H1* U 5 0.120 -2.931 -0.443
53 H3 U 5 H3 U 5 -2.637 -1.234 -3.635
54 H5 U 5 H5 U 5 -4.744 -0.681 -0.028
55 H6 U 5 H6 U 5 -2.757 -1.394 1.167
56 1H5* C 6 1H5* C 6 3.551 0.266 0.548
57 2H5* C 6 2H5* C 6 4.161 1.856 1.047
58 H4* C 6 H4* C 6 4.778 1.526 -1.267
59 H3* C 6 H3* C 6 2.452 3.416 -0.799
60 H2* C 6 1H2* C 6 2.330 3.856 -3.102
61 2HO* C 6 2HO* C 6 3.995 3.266 -4.537
62 H1* C 6 H1* C 6 2.794 1.277 -3.967
63 1H4 C 6 1H4 C 6 -3.606 1.915 -2.337
64 2H4 C 6 2H4 C 6 -3.535 1.898 -4.084
65 H5 C 6 H5 C 6 -1.649 1.858 -0.937
66 H6 C 6 H6 C 6 0.798 1.789 -0.907
67 1H5* A 7 1H5* A 7 5.403 5.030 -3.108
68 2H5* A 7 2H5* A 7 5.847 6.738 -2.925
69 H4* A 7 H4* A 7 5.220 6.021 -5.282
70 H3* A 7 H3* A 7 4.809 8.418 -4.055
71 H2* A 7 1H2* A 7 2.661 8.060 -3.238
72 2HO* A 7 2HO* A 7 1.297 9.237 -4.494
73 H1* A 7 H1* A 7 1.712 6.677 -5.730
74 H8 A 7 H8 A 7 1.983 6.546 -1.872
75 1H6 A 7 1H6 A 7 -3.718 4.233 -1.986
76 2H6 A 7 2H6 A 7 -2.414 4.784 -0.958
77 H2 A 7 H2 A 7 -2.318 4.715 -6.232
78 1H5* C 8 1H5* C 8 2.557 11.429 -7.694
79 2H5* C 8 2H5* C 8 2.347 9.955 -6.726
80 H4* C 8 H4* C 8 2.643 9.598 -9.682
81 H3* C 8 H3* C 8 0.247 10.878 -8.320
82 H2* C 8 1H2* C 8 -1.163 9.697 -9.788
83 2HO* C 8 2HO* C 8 -0.556 9.112 -11.740
84 H1* C 8 H1* C 8 0.220 7.317 -9.694
85 1H4 C 8 1H4 C 8 -3.628 7.591 -4.319
86 2H4 C 8 2H4 C 8 -4.694 7.050 -5.597
87 H5 C 8 H5 C 8 -1.360 8.301 -4.707
88 H6 C 8 H6 C 8 0.380 8.645 -6.396
89 1H5* C 9 1H5* C 9 -0.352 11.737 -12.715
90 2H5* C 9 2H5* C 9 -1.306 13.233 -12.784
91 H4* C 9 H4* C 9 -2.354 11.166 -13.881
92 H3* C 9 H3* C 9 -3.726 12.785 -11.708
93 H2* C 9 1H2* C 9 -5.634 11.436 -11.932
94 2HO* C 9 2HO* C 9 -5.883 9.992 -13.707
95 H1* C 9 H1* C 9 -4.311 9.031 -12.283
96 1H4 C 9 1H4 C 9 -4.741 10.101 -5.773
97 2H4 C 9 2H4 C 9 -6.207 9.243 -6.196
98 H5 C 9 H5 C 9 -3.149 10.884 -7.403
99 H6 C 9 H6 C 9 -2.616 11.013 -9.790
100 1H5* A 10 1H5* A 10 -6.739 12.581 -14.219
101 2H5* A 10 2H5* A 10 -7.735 14.053 -14.202
102 H4* A 10 H4* A 10 -8.930 12.101 -13.211
103 H3* A 10 H3* A 10 -8.179 14.470 -11.469
104 H2* A 10 1H2* A 10 -9.267 13.476 -9.631
105 2HO* A 10 2HO* A 10 -10.742 12.282 -11.599
106 H1* A 10 H1* A 10 -8.380 10.916 -10.066
107 H8 A 10 H8 A 10 -5.671 13.458 -10.790
108 1H6 A 10 1H6 A 10 -4.365 13.401 -4.778
109 2H6 A 10 2H6 A 10 -3.852 13.965 -6.352
110 H2 A 10 H2 A 10 -8.146 11.054 -5.411
111 1H5* U 11 1H5* U 11 -11.897 13.669 -10.498
112 2H5* U 11 2H5* U 11 -13.015 15.048 -10.475
113 H4* U 11 H4* U 11 -12.924 13.757 -8.310
114 H3* U 11 H3* U 11 -13.203 16.443 -8.619
115 H2* U 11 1H2* U 11 -10.925 17.030 -8.488
116 2HO* U 11 2HO* U 11 -11.406 18.317 -6.865
117 H1* U 11 H1* U 11 -10.446 15.164 -6.172
118 H3 U 11 H3 U 11 -6.028 15.867 -6.326
119 H5 U 11 H5 U 11 -7.154 16.320 -10.360
120 H6 U 11 H6 U 11 -9.437 15.834 -9.708
121 1H5* U 12 1H5* U 12 -16.214 15.379 -4.460
122 2H5* U 12 2H5* U 12 -15.490 15.893 -2.928
123 H4* U 12 H4* U 12 -15.246 13.365 -4.274
124 H3* U 12 H3* U 12 -15.329 14.272 -1.708
125 H2* U 12 1H2* U 12 -13.249 15.258 -1.583
126 2HO* U 12 2HO* U 12 -11.714 13.323 -0.966
127 H1* U 12 H1* U 12 -11.848 13.093 -3.126
128 H3 U 12 H3 U 12 -8.212 15.719 -2.822
129 H5 U 12 H5 U 12 -11.230 18.421 -3.980
130 H6 U 12 H6 U 12 -12.826 16.599 -3.836
131 1H5* A 13 1H5* A 13 -18.754 10.542 -2.891
132 2H5* A 13 2H5* A 13 -17.366 9.588 -2.333
133 H4* A 13 H4* A 13 -18.377 9.580 -4.906
134 H3* A 13 H3* A 13 -15.627 8.913 -3.815
135 H2* A 13 1H2* A 13 -15.063 8.345 -6.086
136 2HO* A 13 2HO* A 13 -17.263 7.542 -6.581
137 H1* A 13 H1* A 13 -15.871 10.683 -7.085
138 H8 A 13 H8 A 13 -14.806 10.850 -3.409
139 1H6 A 13 1H6 A 13 -9.227 12.411 -5.400
140 2H6 A 13 2H6 A 13 -10.252 12.225 -3.996
141 H2 A 13 H2 A 13 -11.728 11.356 -8.973
142 1H5* G 14 1H5* G 14 -16.812 5.388 -6.177
143 2H5* G 14 2H5* G 14 -15.562 4.130 -5.987
144 H4* G 14 H4* G 14 -15.810 5.604 -8.211
145 H3* G 14 H3* G 14 -13.270 4.795 -6.763
146 H2* G 14 1H2* G 14 -11.990 5.893 -8.379
147 2HO* G 14 2HO* G 14 -13.557 6.837 -10.219
148 H1* G 14 H1* G 14 -13.623 8.097 -8.703
149 H8 G 14 H8 G 14 -13.521 7.968 -5.126
150 H1 G 14 H1 G 14 -7.615 8.899 -7.350
151 1H2 G 14 1H2 G 14 -8.982 7.974 -10.421
152 2H2 G 14 2H2 G 14 -7.565 8.478 -9.530
153 1H5* G 15 1H5* G 15 -13.401 2.968 -10.735
154 2H5* G 15 2H5* G 15 -12.565 1.408 -10.958
155 H4* G 15 H4* G 15 -11.823 3.302 -12.479
156 H3* G 15 H3* G 15 -9.896 2.005 -10.525
157 H2* G 15 1H2* G 15 -8.155 3.315 -11.386
158 2HO* G 15 2HO* G 15 -9.892 4.112 -13.511
159 H1* G 15 H1* G 15 -9.600 5.647 -11.681
160 H8 G 15 H8 G 15 -10.581 4.423 -8.357
161 H1 G 15 H1 G 15 -4.515 6.379 -8.339
162 1H2 G 15 1H2 G 15 -4.814 6.322 -11.814
163 2H2 G 15 2H2 G 15 -3.795 6.632 -10.426
164 1H5* G 16 1H5* G 16 -7.657 2.544 -13.733
165 2H5* G 16 2H5* G 16 -7.215 0.962 -14.427
166 H4* G 16 H4* G 16 -5.249 2.373 -14.380
167 H3* G 16 H3* G 16 -5.349 0.334 -12.134
168 H2* G 16 1H2* G 16 -3.206 1.012 -11.449
169 2HO* G 16 2HO* G 16 -2.383 1.126 -13.676
170 H1* G 16 H1* G 16 -3.602 3.719 -11.819
171 H8 G 16 H8 G 16 -6.707 2.542 -10.208
172 H1 G 16 H1 G 16 -1.837 2.449 -6.097
173 1H2 G 16 1H2 G 16 0.159 2.866 -8.926
174 2H2 G 16 2H2 G 16 0.081 2.679 -7.188
175 1H5* A 17 1H5* A 17 -1.993 -0.844 -14.298
176 2H5* A 17 2H5* A 17 -1.611 -2.577 -14.251
177 H4* A 17 H4* A 17 0.093 -1.195 -13.069
178 H3* A 17 H3* A 17 -1.622 -3.117 -11.457
179 H2* A 17 1H2* A 17 -0.313 -2.627 -9.566
180 2HO* A 17 2HO* A 17 1.503 -1.373 -11.383
181 H1* A 17 H1* A 17 -0.110 0.088 -10.036
182 H8 A 17 H8 A 17 -3.646 -0.910 -10.723
183 1H6 A 17 1H6 A 17 -4.653 -0.917 -4.649
184 2H6 A 17 2H6 A 17 -5.404 -0.991 -6.227
185 H2 A 17 H2 A 17 -0.225 -0.594 -5.323
186 1H5* U 18 1H5* U 18 2.493 -4.216 -10.897
187 2H5* U 18 2H5* U 18 2.719 -5.973 -10.780
188 H4* U 18 H4* U 18 3.679 -4.817 -8.819
189 H3* U 18 H3* U 18 1.220 -6.547 -8.413
190 H2* U 18 1H2* U 18 1.346 -6.172 -6.102
191 2HO* U 18 2HO* U 18 3.898 -4.947 -6.476
192 H1* U 18 H1* U 18 2.027 -3.501 -6.237
193 H3 U 18 H3 U 18 -2.143 -3.637 -4.435
194 H5 U 18 H5 U 18 -2.754 -4.458 -8.523
195 H6 U 18 H6 U 18 -0.347 -4.556 -8.797
196 1H5* C 19 1H5* C 19 4.163 -8.206 -5.572
197 2H5* C 19 2H5* C 19 4.072 -9.972 -5.740
198 H4* C 19 H4* C 19 3.820 -9.363 -3.388
199 H3* C 19 H3* C 19 1.322 -10.326 -4.819
200 H2* C 19 1H2* C 19 0.137 -10.231 -2.789
201 2HO* C 19 2HO* C 19 1.289 -9.803 -0.789
202 H1* C 19 H1* C 19 1.201 -7.848 -1.914
203 1H4 C 19 1H4 C 19 -3.619 -6.551 -6.279
204 2H4 C 19 2H4 C 19 -4.365 -6.468 -4.699
205 H5 C 19 H5 C 19 -1.329 -7.219 -6.623
206 H6 C 19 H6 C 19 0.731 -7.966 -5.529
207 1H5* U 20 1H5* U 20 1.176 -13.024 -1.682
208 2H5* U 20 2H5* U 20 0.423 -14.528 -2.254
209 H4* U 20 H4* U 20 -0.960 -13.192 -0.594
210 H3* U 20 H3* U 20 -1.971 -13.836 -3.383
211 H2* U 20 1H2* U 20 -4.041 -12.872 -2.840
212 2HO* U 20 2HO* U 20 -4.241 -13.832 -0.746
213 H1* U 20 H1* U 20 -3.032 -10.724 -1.428
214 H3 U 20 H3 U 20 -5.066 -9.229 -5.245
215 H5 U 20 H5 U 20 -1.249 -10.517 -6.477
216 H6 U 20 H6 U 20 -0.912 -11.433 -4.257
217 1H5* C 21 1H5* C 21 -5.455 -15.135 -0.603
218 2H5* C 21 2H5* C 21 -5.672 -16.774 -1.247
219 H4* C 21 H4* C 21 -7.830 -15.606 -1.150
220 H3* C 21 H3* C 21 -6.641 -16.122 -3.895
221 H2* C 21 1H2* C 21 -8.571 -15.232 -4.891
222 2HO* C 21 2HO* C 21 -9.978 -16.392 -3.304
223 H1* C 21 H1* C 21 -8.948 -13.159 -3.097
224 1H4 C 21 1H4 C 21 -4.546 -11.379 -7.738
225 2H4 C 21 2H4 C 21 -6.058 -10.613 -8.173
226 H5 C 21 H5 C 21 -4.315 -12.879 -5.868
227 H6 C 21 H6 C 21 -5.487 -13.986 -4.024
228 H3T C 21 H3T C 21 -8.783 -17.272 -2.380
Start of MODEL 15
1 1H5* G 1 1H5* G 1 -13.850 -6.836 -7.999
2 2H5* G 1 2H5* G 1 -15.449 -7.000 -8.770
3 H4* G 1 H4* G 1 -16.156 -8.474 -6.969
4 H3* G 1 H3* G 1 -13.596 -7.520 -5.649
5 H2* G 1 1H2* G 1 -13.375 -9.600 -4.575
6 2HO* G 1 2HO* G 1 -15.988 -10.288 -5.504
7 H1* G 1 H1* G 1 -14.088 -11.155 -6.724
8 H8 G 1 H8 G 1 -11.957 -8.546 -8.227
9 H1 G 1 H1 G 1 -8.487 -12.510 -4.637
10 1H2 G 1 1H2 G 1 -11.565 -13.622 -3.432
11 2H2 G 1 2H2 G 1 -9.821 -13.764 -3.383
12 H5T G 1 H5T G 1 -14.683 -5.514 -6.503
13 1H5* G 2 1H5* G 2 -15.327 -9.681 -2.623
14 2H5* G 2 2H5* G 2 -16.007 -8.450 -1.526
15 H4* G 2 H4* G 2 -15.082 -10.001 -0.041
16 H3* G 2 H3* G 2 -12.919 -8.004 -0.773
17 H2* G 2 1H2* G 2 -11.415 -9.115 0.653
18 2HO* G 2 2HO* G 2 -12.225 -10.876 2.020
19 H1* G 2 H1* G 2 -12.146 -11.671 -0.052
20 H8 G 2 H8 G 2 -12.058 -9.395 -3.074
21 H1 G 2 H1 G 2 -6.278 -11.433 -1.335
22 1H2 G 2 1H2 G 2 -7.890 -12.609 1.521
23 2H2 G 2 2H2 G 2 -6.389 -12.439 0.639
24 1H5* G 3 1H5* G 3 -12.453 -6.773 3.605
25 2H5* G 3 2H5* G 3 -11.799 -5.158 3.228
26 H4* G 3 H4* G 3 -10.312 -7.120 4.284
27 H3* G 3 H3* G 3 -9.507 -5.225 2.041
28 H2* G 3 1H2* G 3 -7.328 -6.137 2.202
29 2HO* G 3 2HO* G 3 -6.756 -6.499 4.229
30 H1* G 3 H1* G 3 -8.172 -8.749 2.396
31 H8 G 3 H8 G 3 -10.416 -7.420 -0.177
32 H1 G 3 H1 G 3 -4.427 -7.620 -2.353
33 1H2 G 3 1H2 G 3 -3.559 -8.127 0.985
34 2H2 G 3 2H2 G 3 -3.019 -7.954 -0.670
35 1H5* A 4 1H5* A 4 -6.764 -4.458 5.147
36 2H5* A 4 2H5* A 4 -6.073 -2.823 5.136
37 H4* A 4 H4* A 4 -4.425 -4.731 4.732
38 H3* A 4 H3* A 4 -4.819 -2.445 2.774
39 H2* A 4 1H2* A 4 -3.076 -3.296 1.454
40 2HO* A 4 2HO* A 4 -1.721 -3.747 3.375
41 H1* A 4 H1* A 4 -3.716 -5.971 1.745
42 H8 A 4 H8 A 4 -6.984 -4.489 1.050
43 1H6 A 4 1H6 A 4 -5.333 -3.640 -4.821
44 2H6 A 4 2H6 A 4 -6.674 -3.663 -3.697
45 H2 A 4 H2 A 4 -1.635 -4.606 -2.460
46 1H5* U 5 1H5* U 5 -0.688 -2.362 4.182
47 2H5* U 5 2H5* U 5 -0.017 -0.722 4.308
48 H4* U 5 H4* U 5 1.352 -2.213 2.843
49 H3* U 5 H3* U 5 -0.053 0.211 1.678
50 H2* U 5 1H2* U 5 0.911 -0.220 -0.416
51 2HO* U 5 2HO* U 5 2.987 -0.949 0.903
52 H1* U 5 H1* U 5 0.654 -2.969 -0.354
53 H3 U 5 H3 U 5 -2.105 -1.449 -3.640
54 H5 U 5 H5 U 5 -4.195 -0.689 -0.065
55 H6 U 5 H6 U 5 -2.202 -1.327 1.161
56 1H5* C 6 1H5* C 6 4.221 0.534 0.190
57 2H5* C 6 2H5* C 6 4.620 2.198 0.665
58 H4* C 6 H4* C 6 5.170 1.847 -1.701
59 H3* C 6 H3* C 6 2.801 3.624 -1.047
60 H2* C 6 1H2* C 6 2.495 4.089 -3.328
61 2HO* C 6 2HO* C 6 4.080 3.569 -4.890
62 H1* C 6 H1* C 6 3.004 1.543 -4.266
63 1H4 C 6 1H4 C 6 -3.274 1.865 -2.142
64 2H4 C 6 2H4 C 6 -3.339 1.921 -3.888
65 H5 C 6 H5 C 6 -1.214 1.821 -0.898
66 H6 C 6 H6 C 6 1.229 1.859 -1.056
67 1H5* A 7 1H5* A 7 5.804 5.601 -3.359
68 2H5* A 7 2H5* A 7 6.003 7.349 -3.128
69 H4* A 7 H4* A 7 5.516 6.534 -5.520
70 H3* A 7 H3* A 7 4.932 8.905 -4.313
71 H2* A 7 1H2* A 7 2.798 8.413 -3.526
72 2HO* A 7 2HO* A 7 1.359 9.460 -4.834
73 H1* A 7 H1* A 7 1.982 6.954 -6.020
74 H8 A 7 H8 A 7 2.195 6.870 -2.157
75 1H6 A 7 1H6 A 7 -3.349 4.204 -2.363
76 2H6 A 7 2H6 A 7 -2.109 4.855 -1.314
77 H2 A 7 H2 A 7 -1.883 4.722 -6.581
78 1H5* C 8 1H5* C 8 2.552 11.811 -7.983
79 2H5* C 8 2H5* C 8 2.389 10.343 -6.998
80 H4* C 8 H4* C 8 2.694 10.006 -9.963
81 H3* C 8 H3* C 8 0.229 11.080 -8.544
82 H2* C 8 1H2* C 8 -1.104 9.820 -10.023
83 2HO* C 8 2HO* C 8 0.837 10.280 -11.745
84 H1* C 8 H1* C 8 0.470 7.556 -9.985
85 1H4 C 8 1H4 C 8 -3.325 7.373 -4.574
86 2H4 C 8 2H4 C 8 -4.334 6.726 -5.848
87 H5 C 8 H5 C 8 -1.163 8.356 -4.975
88 H6 C 8 H6 C 8 0.517 8.898 -6.674
89 1H5* C 9 1H5* C 9 -0.759 12.161 -12.723
90 2H5* C 9 2H5* C 9 -1.822 13.578 -12.602
91 H4* C 9 H4* C 9 -2.866 11.463 -13.604
92 H3* C 9 H3* C 9 -4.010 12.919 -11.197
93 H2* C 9 1H2* C 9 -5.821 11.430 -11.163
94 2HO* C 9 2HO* C 9 -4.981 10.403 -13.691
95 H1* C 9 H1* C 9 -4.399 9.139 -11.776
96 1H4 C 9 1H4 C 9 -3.869 10.185 -5.263
97 2H4 C 9 2H4 C 9 -5.311 9.214 -5.457
98 H5 C 9 H5 C 9 -2.618 11.077 -7.115
99 H6 C 9 H6 C 9 -2.474 11.227 -9.554
100 1H5* A 10 1H5* A 10 -7.489 12.476 -13.200
101 2H5* A 10 2H5* A 10 -8.571 13.814 -12.761
102 H4* A 10 H4* A 10 -9.187 11.528 -11.795
103 H3* A 10 H3* A 10 -8.677 13.985 -10.088
104 H2* A 10 1H2* A 10 -9.225 12.763 -8.151
105 2HO* A 10 2HO* A 10 -10.036 10.519 -8.445
106 H1* A 10 H1* A 10 -7.908 10.452 -8.835
107 H8 A 10 H8 A 10 -5.810 13.408 -9.853
108 1H6 A 10 1H6 A 10 -3.844 13.730 -4.029
109 2H6 A 10 2H6 A 10 -3.607 14.323 -5.657
110 H2 A 10 H2 A 10 -7.253 10.805 -4.192
111 1H5* U 11 1H5* U 11 -11.773 12.392 -8.438
112 2H5* U 11 2H5* U 11 -13.251 13.372 -8.521
113 H4* U 11 H4* U 11 -12.901 12.469 -6.246
114 H3* U 11 H3* U 11 -13.631 15.031 -6.810
115 H2* U 11 1H2* U 11 -11.496 16.010 -6.779
116 2HO* U 11 2HO* U 11 -11.871 17.357 -5.203
117 H1* U 11 H1* U 11 -10.660 14.475 -4.329
118 H3 U 11 H3 U 11 -6.423 15.846 -4.708
119 H5 U 11 H5 U 11 -7.696 15.740 -8.722
120 H6 U 11 H6 U 11 -9.864 14.982 -7.948
121 1H5* U 12 1H5* U 12 -16.321 13.906 -2.437
122 2H5* U 12 2H5* U 12 -15.686 14.771 -1.028
123 H4* U 12 H4* U 12 -14.893 12.219 -2.118
124 H3* U 12 H3* U 12 -15.205 13.345 0.340
125 H2* U 12 1H2* U 12 -13.412 14.795 0.329
126 2HO* U 12 2HO* U 12 -12.133 12.344 1.060
127 H1* U 12 H1* U 12 -11.530 12.876 -1.015
128 H3 U 12 H3 U 12 -8.595 16.266 -1.180
129 H5 U 12 H5 U 12 -12.183 18.073 -2.450
130 H6 U 12 H6 U 12 -13.316 15.971 -2.030
131 1H5* A 13 1H5* A 13 -17.861 10.197 -2.300
132 2H5* A 13 2H5* A 13 -17.412 9.100 -0.979
133 H4* A 13 H4* A 13 -16.722 8.664 -3.565
134 H3* A 13 H3* A 13 -15.947 7.655 -1.016
135 H2* A 13 1H2* A 13 -13.784 8.427 -1.006
136 2HO* A 13 2HO* A 13 -13.166 6.383 -1.379
137 H1* A 13 H1* A 13 -13.622 8.544 -4.018
138 H8 A 13 H8 A 13 -13.052 10.422 -0.696
139 1H6 A 13 1H6 A 13 -8.018 12.755 -3.339
140 2H6 A 13 2H6 A 13 -8.926 12.626 -1.849
141 H2 A 13 H2 A 13 -10.247 10.379 -6.423
142 1H5* G 14 1H5* G 14 -14.055 3.217 -4.077
143 2H5* G 14 2H5* G 14 -13.706 4.609 -3.019
144 H4* G 14 H4* G 14 -15.246 5.121 -5.548
145 H3* G 14 H3* G 14 -12.382 4.127 -5.450
146 H2* G 14 1H2* G 14 -11.767 5.670 -7.090
147 2HO* G 14 2HO* G 14 -13.483 5.345 -8.548
148 H1* G 14 H1* G 14 -13.282 7.788 -6.187
149 H8 G 14 H8 G 14 -11.941 6.859 -3.075
150 H1 G 14 H1 G 14 -7.084 8.330 -6.930
151 1H2 G 14 1H2 G 14 -9.436 7.986 -9.486
152 2H2 G 14 2H2 G 14 -7.781 8.340 -9.041
153 1H5* G 15 1H5* G 15 -13.317 2.571 -10.860
154 2H5* G 15 2H5* G 15 -12.088 1.571 -10.044
155 H4* G 15 H4* G 15 -11.738 3.394 -12.169
156 H3* G 15 H3* G 15 -9.861 2.036 -10.207
157 H2* G 15 1H2* G 15 -8.057 3.248 -11.110
158 2HO* G 15 2HO* G 15 -8.434 4.604 -13.019
159 H1* G 15 H1* G 15 -9.352 5.656 -11.298
160 H8 G 15 H8 G 15 -10.493 4.254 -8.068
161 H1 G 15 H1 G 15 -4.384 6.047 -7.775
162 1H2 G 15 1H2 G 15 -4.606 6.250 -11.250
163 2H2 G 15 2H2 G 15 -3.612 6.433 -9.822
164 1H5* G 16 1H5* G 16 -7.791 2.392 -13.568
165 2H5* G 16 2H5* G 16 -7.227 0.820 -14.192
166 H4* G 16 H4* G 16 -5.415 2.483 -14.181
167 H3* G 16 H3* G 16 -5.254 0.318 -12.056
168 H2* G 16 1H2* G 16 -3.142 1.139 -11.434
169 2HO* G 16 2HO* G 16 -3.219 2.719 -13.817
170 H1* G 16 H1* G 16 -3.785 3.818 -11.645
171 H8 G 16 H8 G 16 -6.675 2.318 -9.920
172 H1 G 16 H1 G 16 -1.569 2.434 -6.106
173 1H2 G 16 1H2 G 16 0.210 3.128 -9.023
174 2H2 G 16 2H2 G 16 0.255 2.860 -7.296
175 1H5* A 17 1H5* A 17 -1.791 -0.120 -14.066
176 2H5* A 17 2H5* A 17 -1.183 -1.779 -14.250
177 H4* A 17 H4* A 17 0.365 -0.411 -12.896
178 H3* A 17 H3* A 17 -1.169 -2.631 -11.505
179 H2* A 17 1H2* A 17 0.035 -2.205 -9.535
180 2HO* A 17 2HO* A 17 1.863 -0.749 -9.566
181 H1* A 17 H1* A 17 0.007 0.549 -9.738
182 H8 A 17 H8 A 17 -3.402 -0.729 -10.625
183 1H6 A 17 1H6 A 17 -4.534 -1.337 -4.604
184 2H6 A 17 2H6 A 17 -5.239 -1.360 -6.206
185 H2 A 17 H2 A 17 -0.150 -0.500 -5.121
186 1H5* U 18 1H5* U 18 2.673 -3.313 -10.419
187 2H5* U 18 2H5* U 18 3.132 -5.027 -10.485
188 H4* U 18 H4* U 18 3.489 -4.158 -8.225
189 H3* U 18 H3* U 18 1.146 -6.057 -8.588
190 H2* U 18 1H2* U 18 0.808 -6.022 -6.267
191 2HO* U 18 2HO* U 18 2.430 -4.842 -4.927
192 H1* U 18 H1* U 18 1.290 -3.323 -5.919
193 H3 U 18 H3 U 18 -3.096 -3.996 -4.941
194 H5 U 18 H5 U 18 -2.927 -4.230 -9.144
195 H6 U 18 H6 U 18 -0.509 -4.122 -8.989
196 1H5* C 19 1H5* C 19 4.036 -7.475 -5.419
197 2H5* C 19 2H5* C 19 4.074 -9.249 -5.478
198 H4* C 19 H4* C 19 3.731 -8.390 -3.166
199 H3* C 19 H3* C 19 1.510 -9.954 -4.523
200 H2* C 19 1H2* C 19 0.246 -9.856 -2.548
201 2HO* C 19 2HO* C 19 1.134 -9.753 -0.611
202 H1* C 19 H1* C 19 0.897 -7.259 -1.856
203 1H4 C 19 1H4 C 19 -4.094 -7.051 -6.206
204 2H4 C 19 2H4 C 19 -4.829 -6.935 -4.623
205 H5 C 19 H5 C 19 -1.740 -7.439 -6.543
206 H6 C 19 H6 C 19 0.418 -7.783 -5.436
207 1H5* U 20 1H5* U 20 2.221 -12.359 -0.296
208 2H5* U 20 2H5* U 20 2.035 -13.942 -1.078
209 H4* U 20 H4* U 20 0.485 -13.532 0.892
210 H3* U 20 H3* U 20 -0.531 -14.147 -1.900
211 H2* U 20 1H2* U 20 -2.743 -14.145 -1.109
212 2HO* U 20 2HO* U 20 -3.109 -13.971 1.240
213 H1* U 20 H1* U 20 -2.499 -11.970 0.565
214 H3 U 20 H3 U 20 -5.131 -10.367 -2.741
215 H5 U 20 H5 U 20 -1.397 -10.881 -4.618
216 H6 U 20 H6 U 20 -0.582 -11.905 -2.577
217 1H5* C 21 1H5* C 21 -2.868 -19.040 -0.900
218 2H5* C 21 2H5* C 21 -3.032 -17.974 -2.310
219 H4* C 21 H4* C 21 -4.847 -18.307 0.057
220 H3* C 21 H3* C 21 -5.085 -17.931 -2.944
221 H2* C 21 1H2* C 21 -7.242 -17.046 -2.677
222 2HO* C 21 2HO* C 21 -8.493 -17.869 -1.195
223 H1* C 21 H1* C 21 -6.716 -15.543 -0.419
224 1H4 C 21 1H4 C 21 -4.685 -12.120 -5.717
225 2H4 C 21 2H4 C 21 -6.373 -11.700 -5.526
226 H5 C 21 H5 C 21 -3.578 -13.782 -4.381
227 H6 C 21 H6 C 21 -3.848 -15.421 -2.584
228 H3T C 21 H3T C 21 -5.356 -20.019 -2.512
Start of MODEL 16
1 1H5* G 1 1H5* G 1 -14.592 -7.930 -8.228
2 2H5* G 1 2H5* G 1 -16.100 -7.069 -7.823
3 H4* G 1 H4* G 1 -16.500 -8.586 -6.178
4 H3* G 1 H3* G 1 -13.659 -7.922 -5.346
5 H2* G 1 1H2* G 1 -13.632 -9.804 -3.934
6 2HO* G 1 2HO* G 1 -15.554 -10.998 -3.500
7 H1* G 1 H1* G 1 -14.874 -11.530 -5.673
8 H8 G 1 H8 G 1 -12.675 -9.881 -8.019
9 H1 G 1 H1 G 1 -9.171 -13.045 -3.736
10 1H2 G 1 1H2 G 1 -12.125 -13.219 -1.895
11 2H2 G 1 2H2 G 1 -10.424 -13.616 -1.999
12 H5T G 1 H5T G 1 -13.467 -6.560 -7.054
13 1H5* G 2 1H5* G 2 -15.248 -9.396 -1.975
14 2H5* G 2 2H5* G 2 -15.545 -8.005 -0.899
15 H4* G 2 H4* G 2 -14.677 -9.734 0.488
16 H3* G 2 H3* G 2 -12.468 -7.866 -0.435
17 H2* G 2 1H2* G 2 -10.948 -9.049 0.934
18 2HO* G 2 2HO* G 2 -13.142 -10.559 1.968
19 H1* G 2 H1* G 2 -11.809 -11.540 0.208
20 H8 G 2 H8 G 2 -11.959 -9.344 -2.835
21 H1 G 2 H1 G 2 -6.007 -11.151 -1.457
22 1H2 G 2 1H2 G 2 -7.368 -12.268 1.550
23 2H2 G 2 2H2 G 2 -5.942 -12.086 0.553
24 1H5* G 3 1H5* G 3 -12.170 -7.617 3.534
25 2H5* G 3 2H5* G 3 -11.731 -6.038 4.235
26 H4* G 3 H4* G 3 -10.007 -7.769 4.643
27 H3* G 3 H3* G 3 -9.289 -5.592 2.642
28 H2* G 3 1H2* G 3 -7.087 -6.448 2.640
29 2HO* G 3 2HO* G 3 -7.781 -8.268 4.718
30 H1* G 3 H1* G 3 -7.841 -9.098 2.566
31 H8 G 3 H8 G 3 -10.132 -7.355 0.219
32 H1 G 3 H1 G 3 -4.234 -7.745 -2.159
33 1H2 G 3 1H2 G 3 -3.325 -8.683 1.073
34 2H2 G 3 2H2 G 3 -2.815 -8.365 -0.570
35 1H5* A 4 1H5* A 4 -6.432 -4.908 5.782
36 2H5* A 4 2H5* A 4 -5.758 -3.269 5.668
37 H4* A 4 H4* A 4 -4.188 -5.246 5.110
38 H3* A 4 H3* A 4 -4.668 -2.881 3.262
39 H2* A 4 1H2* A 4 -2.996 -3.723 1.837
40 2HO* A 4 2HO* A 4 -2.329 -5.716 3.758
41 H1* A 4 H1* A 4 -3.724 -6.379 2.058
42 H8 A 4 H8 A 4 -6.944 -4.653 1.626
43 1H6 A 4 1H6 A 4 -5.619 -3.795 -4.326
44 2H6 A 4 2H6 A 4 -6.879 -3.737 -3.115
45 H2 A 4 H2 A 4 -1.865 -5.115 -2.240
46 1H5* U 5 1H5* U 5 -0.622 -3.437 3.575
47 2H5* U 5 2H5* U 5 0.228 -1.949 4.040
48 H4* U 5 H4* U 5 1.364 -2.943 2.129
49 H3* U 5 H3* U 5 -0.274 -0.452 1.560
50 H2* U 5 1H2* U 5 0.472 -0.482 -0.663
51 2HO* U 5 2HO* U 5 2.419 -2.393 0.194
52 H1* U 5 H1* U 5 0.355 -3.223 -1.018
53 H3 U 5 H3 U 5 -2.741 -1.326 -3.778
54 H5 U 5 H5 U 5 -4.552 -1.332 0.026
55 H6 U 5 H6 U 5 -2.430 -2.035 0.964
56 1H5* C 6 1H5* C 6 3.745 -0.152 -0.133
57 2H5* C 6 2H5* C 6 4.421 1.408 0.378
58 H4* C 6 H4* C 6 4.855 1.199 -1.979
59 H3* C 6 H3* C 6 2.524 3.018 -1.296
60 H2* C 6 1H2* C 6 2.263 3.541 -3.569
61 2HO* C 6 2HO* C 6 3.849 3.115 -5.108
62 H1* C 6 H1* C 6 2.748 1.001 -4.553
63 1H4 C 6 1H4 C 6 -3.598 1.506 -2.672
64 2H4 C 6 2H4 C 6 -3.591 1.465 -4.421
65 H5 C 6 H5 C 6 -1.589 1.506 -1.344
66 H6 C 6 H6 C 6 0.859 1.476 -1.405
67 1H5* A 7 1H5* A 7 5.652 4.945 -3.470
68 2H5* A 7 2H5* A 7 5.974 6.656 -3.123
69 H4* A 7 H4* A 7 5.566 6.064 -5.575
70 H3* A 7 H3* A 7 4.994 8.361 -4.225
71 H2* A 7 1H2* A 7 2.803 7.886 -3.599
72 2HO* A 7 2HO* A 7 1.512 9.134 -4.851
73 H1* A 7 H1* A 7 2.098 6.663 -6.252
74 H8 A 7 H8 A 7 2.032 6.301 -2.402
75 1H6 A 7 1H6 A 7 -3.567 3.861 -3.179
76 2H6 A 7 2H6 A 7 -2.387 4.397 -2.005
77 H2 A 7 H2 A 7 -1.787 4.599 -7.240
78 1H5* C 8 1H5* C 8 2.845 11.673 -7.534
79 2H5* C 8 2H5* C 8 2.557 10.085 -6.794
80 H4* C 8 H4* C 8 2.830 10.222 -9.782
81 H3* C 8 H3* C 8 0.471 11.227 -8.154
82 H2* C 8 1H2* C 8 -0.983 10.314 -9.762
83 2HO* C 8 2HO* C 8 -0.176 10.822 -11.712
84 H1* C 8 H1* C 8 0.418 7.972 -10.160
85 1H4 C 8 1H4 C 8 -3.276 7.143 -4.737
86 2H4 C 8 2H4 C 8 -4.364 6.815 -6.066
87 H5 C 8 H5 C 8 -1.041 7.977 -5.038
88 H6 C 8 H6 C 8 0.640 8.685 -6.674
89 1H5* C 9 1H5* C 9 -0.364 12.777 -12.116
90 2H5* C 9 2H5* C 9 -1.419 14.196 -11.959
91 H4* C 9 H4* C 9 -2.434 12.141 -13.114
92 H3* C 9 H3* C 9 -3.673 13.496 -10.696
93 H2* C 9 1H2* C 9 -5.497 12.026 -10.823
94 2HO* C 9 2HO* C 9 -5.336 12.251 -13.326
95 H1* C 9 H1* C 9 -4.069 9.753 -11.485
96 1H4 C 9 1H4 C 9 -3.843 10.397 -4.904
97 2H4 C 9 2H4 C 9 -5.280 9.454 -5.226
98 H5 C 9 H5 C 9 -2.501 11.391 -6.637
99 H6 C 9 H6 C 9 -2.243 11.695 -9.053
100 1H5* A 10 1H5* A 10 -6.990 13.244 -13.056
101 2H5* A 10 2H5* A 10 -8.125 14.538 -12.619
102 H4* A 10 H4* A 10 -8.814 12.183 -11.908
103 H3* A 10 H3* A 10 -8.483 14.488 -9.962
104 H2* A 10 1H2* A 10 -9.204 13.110 -8.193
105 2HO* A 10 2HO* A 10 -9.941 10.876 -8.782
106 H1* A 10 H1* A 10 -7.808 10.863 -8.934
107 H8 A 10 H8 A 10 -5.669 13.910 -9.518
108 1H6 A 10 1H6 A 10 -4.239 13.776 -3.531
109 2H6 A 10 2H6 A 10 -3.868 14.503 -5.078
110 H2 A 10 H2 A 10 -7.568 10.839 -4.238
111 1H5* U 11 1H5* U 11 -11.701 12.803 -8.803
112 2H5* U 11 2H5* U 11 -13.182 13.771 -8.930
113 H4* U 11 H4* U 11 -13.015 12.677 -6.720
114 H3* U 11 H3* U 11 -13.734 15.271 -7.125
115 H2* U 11 1H2* U 11 -11.628 16.265 -6.825
116 2HO* U 11 2HO* U 11 -11.709 17.295 -4.885
117 H1* U 11 H1* U 11 -10.973 14.531 -4.452
118 H3 U 11 H3 U 11 -6.754 16.013 -4.363
119 H5 U 11 H5 U 11 -7.667 16.143 -8.473
120 H6 U 11 H6 U 11 -9.880 15.310 -7.942
121 1H5* U 12 1H5* U 12 -16.778 13.753 -3.111
122 2H5* U 12 2H5* U 12 -16.281 14.524 -1.595
123 H4* U 12 H4* U 12 -15.336 12.077 -2.802
124 H3* U 12 H3* U 12 -15.880 13.004 -0.303
125 H2* U 12 1H2* U 12 -14.129 14.485 -0.055
126 2HO* U 12 2HO* U 12 -13.857 12.466 1.381
127 H1* U 12 H1* U 12 -12.099 12.705 -1.378
128 H3 U 12 H3 U 12 -9.227 16.131 -1.034
129 H5 U 12 H5 U 12 -12.737 17.995 -2.434
130 H6 U 12 H6 U 12 -13.860 15.851 -2.283
131 1H5* A 13 1H5* A 13 -18.248 9.881 -3.289
132 2H5* A 13 2H5* A 13 -17.837 8.747 -1.988
133 H4* A 13 H4* A 13 -16.962 8.459 -4.541
134 H3* A 13 H3* A 13 -16.316 7.363 -1.989
135 H2* A 13 1H2* A 13 -14.186 8.196 -1.804
136 2HO* A 13 2HO* A 13 -13.600 6.120 -2.285
137 H1* A 13 H1* A 13 -13.830 8.486 -4.784
138 H8 A 13 H8 A 13 -13.584 10.210 -1.342
139 1H6 A 13 1H6 A 13 -8.468 12.859 -3.478
140 2H6 A 13 2H6 A 13 -9.478 12.622 -2.070
141 H2 A 13 H2 A 13 -10.362 10.564 -6.831
142 1H5* G 14 1H5* G 14 -14.007 3.172 -5.124
143 2H5* G 14 2H5* G 14 -13.796 4.532 -3.990
144 H4* G 14 H4* G 14 -15.207 5.071 -6.587
145 H3* G 14 H3* G 14 -12.303 4.237 -6.345
146 H2* G 14 1H2* G 14 -11.686 5.871 -7.897
147 2HO* G 14 2HO* G 14 -14.462 5.986 -8.534
148 H1* G 14 H1* G 14 -13.319 7.874 -6.970
149 H8 G 14 H8 G 14 -12.159 6.797 -3.830
150 H1 G 14 H1 G 14 -7.092 8.594 -7.250
151 1H2 G 14 1H2 G 14 -9.258 8.382 -9.974
152 2H2 G 14 2H2 G 14 -7.644 8.732 -9.395
153 1H5* G 15 1H5* G 15 -13.342 3.535 -10.247
154 2H5* G 15 2H5* G 15 -12.886 2.028 -11.086
155 H4* G 15 H4* G 15 -11.955 3.956 -12.254
156 H3* G 15 H3* G 15 -9.965 2.364 -10.602
157 H2* G 15 1H2* G 15 -8.234 3.726 -11.425
158 2HO* G 15 2HO* G 15 -9.815 3.908 -13.577
159 H1* G 15 H1* G 15 -9.596 6.110 -11.245
160 H8 G 15 H8 G 15 -10.445 4.295 -8.129
161 H1 G 15 H1 G 15 -4.401 6.315 -8.051
162 1H2 G 15 1H2 G 15 -4.875 6.896 -11.456
163 2H2 G 15 2H2 G 15 -3.790 6.961 -10.084
164 1H5* G 16 1H5* G 16 -7.680 3.188 -13.722
165 2H5* G 16 2H5* G 16 -7.570 1.679 -14.665
166 H4* G 16 H4* G 16 -5.360 2.520 -14.611
167 H3* G 16 H3* G 16 -5.776 0.608 -12.286
168 H2* G 16 1H2* G 16 -3.493 0.853 -11.742
169 2HO* G 16 2HO* G 16 -3.012 2.495 -14.000
170 H1* G 16 H1* G 16 -3.417 3.575 -12.086
171 H8 G 16 H8 G 16 -6.678 2.901 -10.447
172 H1 G 16 H1 G 16 -1.835 2.127 -6.379
173 1H2 G 16 1H2 G 16 0.174 2.248 -9.227
174 2H2 G 16 2H2 G 16 0.088 2.076 -7.489
175 1H5* A 17 1H5* A 17 -2.787 -1.390 -14.607
176 2H5* A 17 2H5* A 17 -2.603 -3.096 -14.156
177 H4* A 17 H4* A 17 -0.756 -1.441 -13.404
178 H3* A 17 H3* A 17 -2.212 -3.366 -11.563
179 H2* A 17 1H2* A 17 -0.821 -2.696 -9.795
180 2HO* A 17 2HO* A 17 1.125 -1.718 -10.079
181 H1* A 17 H1* A 17 -0.772 -0.003 -10.420
182 H8 A 17 H8 A 17 -4.325 -0.821 -10.769
183 1H6 A 17 1H6 A 17 -4.815 -1.234 -4.646
184 2H6 A 17 2H6 A 17 -5.699 -1.136 -6.152
185 H2 A 17 H2 A 17 -0.446 -1.151 -5.689
186 1H5* U 18 1H5* U 18 1.709 -3.782 -10.727
187 2H5* U 18 2H5* U 18 2.266 -5.468 -10.732
188 H4* U 18 H4* U 18 2.916 -4.392 -8.632
189 H3* U 18 H3* U 18 0.691 -6.448 -8.502
190 H2* U 18 1H2* U 18 0.612 -6.226 -6.172
191 2HO* U 18 2HO* U 18 3.037 -4.720 -6.321
192 H1* U 18 H1* U 18 0.949 -3.489 -6.077
193 H3 U 18 H3 U 18 -3.257 -4.449 -4.574
194 H5 U 18 H5 U 18 -3.541 -4.638 -8.773
195 H6 U 18 H6 U 18 -1.127 -4.435 -8.881
196 1H5* C 19 1H5* C 19 3.827 -7.408 -5.659
197 2H5* C 19 2H5* C 19 4.150 -9.154 -5.632
198 H4* C 19 H4* C 19 3.807 -8.310 -3.347
199 H3* C 19 H3* C 19 1.658 -10.095 -4.532
200 H2* C 19 1H2* C 19 0.493 -10.045 -2.496
201 2HO* C 19 2HO* C 19 2.801 -8.836 -1.316
202 H1* C 19 H1* C 19 0.940 -7.382 -1.915
203 1H4 C 19 1H4 C 19 -4.221 -7.788 -6.052
204 2H4 C 19 2H4 C 19 -4.900 -7.672 -4.445
205 H5 C 19 H5 C 19 -1.857 -7.970 -6.477
206 H6 C 19 H6 C 19 0.365 -8.080 -5.454
207 1H5* U 20 1H5* U 20 2.406 -11.540 -0.795
208 2H5* U 20 2H5* U 20 2.510 -13.310 -0.726
209 H4* U 20 H4* U 20 0.796 -12.540 0.834
210 H3* U 20 H3* U 20 -0.172 -13.912 -1.693
211 H2* U 20 1H2* U 20 -2.389 -13.759 -0.936
212 2HO* U 20 2HO* U 20 -2.345 -14.379 1.155
213 H1* U 20 H1* U 20 -2.198 -11.225 0.156
214 H3 U 20 H3 U 20 -4.967 -10.511 -3.332
215 H5 U 20 H5 U 20 -1.299 -11.464 -5.174
216 H6 U 20 H6 U 20 -0.392 -11.944 -2.978
217 1H5* C 21 1H5* C 21 -2.669 -18.224 -0.305
218 2H5* C 21 2H5* C 21 -2.713 -16.967 -1.556
219 H4* C 21 H4* C 21 -4.383 -17.041 0.983
220 H3* C 21 H3* C 21 -4.934 -17.533 -1.957
221 H2* C 21 1H2* C 21 -7.067 -16.584 -1.729
222 2HO* C 21 2HO* C 21 -6.643 -16.973 1.060
223 H1* C 21 H1* C 21 -6.346 -14.517 -0.044
224 1H4 C 21 1H4 C 21 -4.969 -12.669 -6.255
225 2H4 C 21 2H4 C 21 -6.647 -12.232 -6.013
226 H5 C 21 H5 C 21 -3.682 -13.903 -4.637
227 H6 C 21 H6 C 21 -3.718 -14.985 -2.442
228 H3T C 21 H3T C 21 -4.791 -19.266 -0.354
Start of MODEL 17
1 1H5* G 1 1H5* G 1 -13.830 -8.852 -9.267
2 2H5* G 1 2H5* G 1 -15.480 -9.065 -9.908
3 H4* G 1 H4* G 1 -16.273 -9.614 -7.685
4 H3* G 1 H3* G 1 -13.569 -8.544 -6.822
5 H2* G 1 1H2* G 1 -13.555 -10.035 -5.001
6 2HO* G 1 2HO* G 1 -16.312 -10.493 -5.607
7 H1* G 1 H1* G 1 -14.524 -12.215 -6.363
8 H8 G 1 H8 G 1 -12.172 -10.670 -8.753
9 H1 G 1 H1 G 1 -9.036 -13.314 -3.875
10 1H2 G 1 1H2 G 1 -12.168 -13.499 -2.357
11 2H2 G 1 2H2 G 1 -10.452 -13.815 -2.243
12 H5T G 1 H5T G 1 -15.544 -6.986 -9.663
13 1H5* G 2 1H5* G 2 -15.568 -7.486 -2.563
14 2H5* G 2 2H5* G 2 -14.169 -6.462 -2.149
15 H4* G 2 H4* G 2 -14.819 -8.929 -1.048
16 H3* G 2 H3* G 2 -12.182 -7.446 -1.323
17 H2* G 2 1H2* G 2 -11.096 -9.237 -0.250
18 2HO* G 2 2HO* G 2 -13.589 -10.500 0.281
19 H1* G 2 H1* G 2 -12.454 -11.245 -1.557
20 H8 G 2 H8 G 2 -11.838 -9.151 -4.410
21 H1 G 2 H1 G 2 -6.252 -11.077 -2.024
22 1H2 G 2 1H2 G 2 -8.098 -11.934 0.804
23 2H2 G 2 2H2 G 2 -6.533 -11.873 0.026
24 1H5* G 3 1H5* G 3 -11.879 -8.251 2.599
25 2H5* G 3 2H5* G 3 -11.839 -6.773 3.597
26 H4* G 3 H4* G 3 -9.967 -8.118 4.254
27 H3* G 3 H3* G 3 -9.199 -5.955 2.268
28 H2* G 3 1H2* G 3 -6.941 -6.604 2.458
29 2HO* G 3 2HO* G 3 -6.149 -7.684 4.152
30 H1* G 3 H1* G 3 -7.393 -9.305 2.366
31 H8 G 3 H8 G 3 -9.779 -7.739 -0.046
32 H1 G 3 H1 G 3 -3.826 -7.819 -2.314
33 1H2 G 3 1H2 G 3 -2.926 -8.675 0.943
34 2H2 G 3 2H2 G 3 -2.404 -8.342 -0.693
35 1H5* A 4 1H5* A 4 -6.921 -4.534 5.788
36 2H5* A 4 2H5* A 4 -6.391 -2.876 5.439
37 H4* A 4 H4* A 4 -4.648 -4.832 5.320
38 H3* A 4 H3* A 4 -5.054 -2.643 3.259
39 H2* A 4 1H2* A 4 -3.254 -3.487 2.015
40 2HO* A 4 2HO* A 4 -2.615 -4.996 4.354
41 H1* A 4 H1* A 4 -3.828 -6.165 2.371
42 H8 A 4 H8 A 4 -7.096 -4.606 1.629
43 1H6 A 4 1H6 A 4 -5.443 -4.121 -4.282
44 2H6 A 4 2H6 A 4 -6.771 -4.005 -3.150
45 H2 A 4 H2 A 4 -1.789 -5.203 -1.899
46 1H5* U 5 1H5* U 5 -0.915 -2.824 4.404
47 2H5* U 5 2H5* U 5 -0.198 -1.206 4.550
48 H4* U 5 H4* U 5 1.137 -2.704 3.075
49 H3* U 5 H3* U 5 -0.225 -0.259 1.907
50 H2* U 5 1H2* U 5 0.756 -0.704 -0.178
51 2HO* U 5 2HO* U 5 2.363 -2.463 -0.323
52 H1* U 5 H1* U 5 0.419 -3.437 -0.133
53 H3 U 5 H3 U 5 -2.289 -1.752 -3.398
54 H5 U 5 H5 U 5 -4.354 -1.002 0.200
55 H6 U 5 H6 U 5 -2.385 -1.737 1.408
56 1H5* C 6 1H5* C 6 3.716 -0.432 0.456
57 2H5* C 6 2H5* C 6 4.535 1.114 0.759
58 H4* C 6 H4* C 6 4.945 0.511 -1.543
59 H3* C 6 H3* C 6 2.858 2.679 -1.147
60 H2* C 6 1H2* C 6 2.658 2.916 -3.473
61 2HO* C 6 2HO* C 6 5.075 1.397 -3.633
62 H1* C 6 H1* C 6 2.829 0.225 -4.098
63 1H4 C 6 1H4 C 6 -3.426 1.625 -2.399
64 2H4 C 6 2H4 C 6 -3.396 1.557 -4.147
65 H5 C 6 H5 C 6 -1.450 1.426 -1.036
66 H6 C 6 H6 C 6 0.978 1.107 -1.052
67 1H5* A 7 1H5* A 7 6.125 6.749 -3.374
68 2H5* A 7 2H5* A 7 4.389 6.883 -3.030
69 H4* A 7 H4* A 7 5.748 6.101 -5.626
70 H3* A 7 H3* A 7 4.818 8.515 -4.779
71 H2* A 7 1H2* A 7 2.623 7.939 -4.300
72 2HO* A 7 2HO* A 7 1.627 9.128 -5.725
73 H1* A 7 H1* A 7 2.276 6.181 -6.702
74 H8 A 7 H8 A 7 2.266 6.018 -2.822
75 1H6 A 7 1H6 A 7 -3.497 3.914 -3.386
76 2H6 A 7 2H6 A 7 -2.235 4.350 -2.256
77 H2 A 7 H2 A 7 -1.862 4.643 -7.511
78 1H5* C 8 1H5* C 8 3.017 11.523 -8.429
79 2H5* C 8 2H5* C 8 2.351 10.167 -7.494
80 H4* C 8 H4* C 8 2.426 10.196 -10.534
81 H3* C 8 H3* C 8 0.337 11.219 -8.583
82 H2* C 8 1H2* C 8 -1.353 10.439 -10.009
83 2HO* C 8 2HO* C 8 -0.983 9.881 -12.154
84 H1* C 8 H1* C 8 -0.112 8.075 -10.734
85 1H4 C 8 1H4 C 8 -3.180 7.047 -4.965
86 2H4 C 8 2H4 C 8 -4.426 6.832 -6.175
87 H5 C 8 H5 C 8 -0.960 7.812 -5.482
88 H6 C 8 H6 C 8 0.549 8.558 -7.264
89 1H5* C 9 1H5* C 9 -1.417 13.733 -12.479
90 2H5* C 9 2H5* C 9 -2.617 14.461 -11.394
91 H4* C 9 H4* C 9 -3.120 12.507 -13.326
92 H3* C 9 H3* C 9 -4.614 13.470 -10.868
93 H2* C 9 1H2* C 9 -6.245 11.820 -11.195
94 2HO* C 9 2HO* C 9 -6.800 11.685 -13.251
95 H1* C 9 H1* C 9 -4.529 9.794 -11.973
96 1H4 C 9 1H4 C 9 -4.523 9.833 -5.371
97 2H4 C 9 2H4 C 9 -5.930 8.890 -5.807
98 H5 C 9 H5 C 9 -3.193 11.037 -6.974
99 H6 C 9 H6 C 9 -2.901 11.572 -9.344
100 1H5* A 10 1H5* A 10 -9.628 14.254 -12.917
101 2H5* A 10 2H5* A 10 -8.842 14.999 -11.511
102 H4* A 10 H4* A 10 -9.990 12.265 -11.833
103 H3* A 10 H3* A 10 -9.613 14.325 -9.640
104 H2* A 10 1H2* A 10 -9.839 12.652 -8.009
105 2HO* A 10 2HO* A 10 -11.182 11.058 -8.333
106 H1* A 10 H1* A 10 -8.379 10.710 -9.313
107 H8 A 10 H8 A 10 -6.458 13.842 -9.779
108 1H6 A 10 1H6 A 10 -4.465 13.372 -3.976
109 2H6 A 10 2H6 A 10 -4.258 14.204 -5.503
110 H2 A 10 H2 A 10 -7.792 10.404 -4.555
111 1H5* U 11 1H5* U 11 -12.544 12.388 -8.292
112 2H5* U 11 2H5* U 11 -14.113 13.208 -8.169
113 H4* U 11 H4* U 11 -13.631 12.033 -6.080
114 H3* U 11 H3* U 11 -14.462 14.624 -6.181
115 H2* U 11 1H2* U 11 -12.351 15.659 -6.097
116 2HO* U 11 2HO* U 11 -13.332 15.280 -3.466
117 H1* U 11 H1* U 11 -11.357 13.786 -3.961
118 H3 U 11 H3 U 11 -7.224 15.462 -4.274
119 H5 U 11 H5 U 11 -8.600 15.713 -8.248
120 H6 U 11 H6 U 11 -10.707 14.766 -7.509
121 1H5* U 12 1H5* U 12 -16.914 12.750 -1.892
122 2H5* U 12 2H5* U 12 -16.174 13.383 -0.411
123 H4* U 12 H4* U 12 -15.426 11.087 -2.016
124 H3* U 12 H3* U 12 -15.622 11.698 0.629
125 H2* U 12 1H2* U 12 -13.858 13.172 0.814
126 2HO* U 12 2HO* U 12 -11.951 11.972 1.502
127 H1* U 12 H1* U 12 -12.013 11.620 -0.977
128 H3 U 12 H3 U 12 -9.188 15.091 -0.581
129 H5 U 12 H5 U 12 -12.879 16.966 -1.367
130 H6 U 12 H6 U 12 -13.929 14.781 -1.310
131 1H5* A 13 1H5* A 13 -18.275 8.993 -2.592
132 2H5* A 13 2H5* A 13 -17.778 7.704 -1.478
133 H4* A 13 H4* A 13 -17.156 7.679 -4.106
134 H3* A 13 H3* A 13 -16.269 6.325 -1.771
135 H2* A 13 1H2* A 13 -14.144 7.195 -1.675
136 2HO* A 13 2HO* A 13 -13.750 5.092 -2.470
137 H1* A 13 H1* A 13 -14.036 7.750 -4.640
138 H8 A 13 H8 A 13 -13.469 9.114 -1.079
139 1H6 A 13 1H6 A 13 -8.630 12.100 -3.408
140 2H6 A 13 2H6 A 13 -9.489 11.687 -1.941
141 H2 A 13 H2 A 13 -10.829 10.145 -6.791
142 1H5* G 14 1H5* G 14 -14.166 2.488 -5.407
143 2H5* G 14 2H5* G 14 -13.913 3.756 -4.179
144 H4* G 14 H4* G 14 -15.444 4.484 -6.659
145 H3* G 14 H3* G 14 -12.526 3.664 -6.616
146 H2* G 14 1H2* G 14 -11.992 5.430 -8.048
147 2HO* G 14 2HO* G 14 -14.788 5.825 -8.492
148 H1* G 14 H1* G 14 -13.646 7.323 -6.919
149 H8 G 14 H8 G 14 -12.275 6.068 -3.924
150 H1 G 14 H1 G 14 -7.510 8.384 -7.471
151 1H2 G 14 1H2 G 14 -9.820 8.249 -10.080
152 2H2 G 14 2H2 G 14 -8.195 8.642 -9.567
153 1H5* G 15 1H5* G 15 -13.350 2.607 -10.934
154 2H5* G 15 2H5* G 15 -12.313 1.194 -11.264
155 H4* G 15 H4* G 15 -11.838 3.379 -12.548
156 H3* G 15 H3* G 15 -9.761 1.954 -10.852
157 H2* G 15 1H2* G 15 -8.152 3.514 -11.532
158 2HO* G 15 2HO* G 15 -10.021 4.384 -13.514
159 H1* G 15 H1* G 15 -9.783 5.742 -11.444
160 H8 G 15 H8 G 15 -10.550 3.951 -8.322
161 H1 G 15 H1 G 15 -4.656 6.366 -8.161
162 1H2 G 15 1H2 G 15 -5.094 6.823 -11.590
163 2H2 G 15 2H2 G 15 -4.045 6.996 -10.201
164 1H5* G 16 1H5* G 16 -7.265 3.204 -13.780
165 2H5* G 16 2H5* G 16 -7.001 1.725 -14.739
166 H4* G 16 H4* G 16 -4.858 2.728 -14.467
167 H3* G 16 H3* G 16 -5.350 0.593 -12.365
168 H2* G 16 1H2* G 16 -3.194 0.934 -11.522
169 2HO* G 16 2HO* G 16 -2.645 2.480 -13.865
170 H1* G 16 H1* G 16 -3.164 3.683 -11.776
171 H8 G 16 H8 G 16 -6.463 2.972 -10.326
172 H1 G 16 H1 G 16 -1.837 1.853 -6.089
173 1H2 G 16 1H2 G 16 0.297 2.012 -8.840
174 2H2 G 16 2H2 G 16 0.128 1.772 -7.115
175 1H5* A 17 1H5* A 17 -3.476 -3.946 -13.358
176 2H5* A 17 2H5* A 17 -4.445 -2.764 -12.455
177 H4* A 17 H4* A 17 -1.600 -2.150 -13.297
178 H3* A 17 H3* A 17 -2.622 -3.731 -10.919
179 H2* A 17 1H2* A 17 -1.013 -2.711 -9.538
180 2HO* A 17 2HO* A 17 0.229 -1.250 -11.575
181 H1* A 17 H1* A 17 -1.275 -0.168 -10.551
182 H8 A 17 H8 A 17 -4.769 -0.863 -10.404
183 1H6 A 17 1H6 A 17 -4.665 -1.126 -4.258
184 2H6 A 17 2H6 A 17 -5.687 -1.012 -5.673
185 H2 A 17 H2 A 17 -0.424 -1.320 -5.725
186 1H5* U 18 1H5* U 18 1.199 -4.344 -10.835
187 2H5* U 18 2H5* U 18 1.859 -5.984 -10.671
188 H4* U 18 H4* U 18 2.684 -4.645 -8.825
189 H3* U 18 H3* U 18 0.490 -6.623 -8.132
190 H2* U 18 1H2* U 18 0.714 -6.049 -5.857
191 2HO* U 18 2HO* U 18 2.778 -5.822 -5.326
192 H1* U 18 H1* U 18 0.891 -3.343 -6.244
193 H3 U 18 H3 U 18 -3.147 -4.394 -4.326
194 H5 U 18 H5 U 18 -3.708 -4.900 -8.470
195 H6 U 18 H6 U 18 -1.318 -4.618 -8.763
196 1H5* C 19 1H5* C 19 4.003 -8.498 -6.291
197 2H5* C 19 2H5* C 19 3.834 -10.257 -6.122
198 H4* C 19 H4* C 19 3.760 -9.011 -3.936
199 H3* C 19 H3* C 19 1.384 -10.637 -4.895
200 H2* C 19 1H2* C 19 0.275 -10.193 -2.875
201 2HO* C 19 2HO* C 19 2.804 -10.074 -1.905
202 H1* C 19 H1* C 19 1.076 -7.557 -2.630
203 1H4 C 19 1H4 C 19 -4.203 -7.722 -6.616
204 2H4 C 19 2H4 C 19 -4.855 -7.599 -4.998
205 H5 C 19 H5 C 19 -1.857 -8.018 -7.076
206 H6 C 19 H6 C 19 0.369 -8.261 -6.087
207 1H5* U 20 1H5* U 20 2.157 -12.139 -1.143
208 2H5* U 20 2H5* U 20 2.074 -13.910 -1.054
209 H4* U 20 H4* U 20 0.480 -12.965 0.529
210 H3* U 20 H3* U 20 -0.679 -14.205 -1.985
211 H2* U 20 1H2* U 20 -2.851 -13.812 -1.187
212 2HO* U 20 2HO* U 20 -1.632 -13.231 1.334
213 H1* U 20 H1* U 20 -2.381 -11.299 -0.170
214 H3 U 20 H3 U 20 -5.049 -10.543 -3.755
215 H5 U 20 H5 U 20 -1.358 -11.638 -5.461
216 H6 U 20 H6 U 20 -0.548 -12.141 -3.233
217 1H5* C 21 1H5* C 21 -2.744 -15.844 1.425
218 2H5* C 21 2H5* C 21 -2.868 -17.605 1.239
219 H4* C 21 H4* C 21 -5.073 -16.734 1.759
220 H3* C 21 H3* C 21 -4.638 -17.562 -1.130
221 H2* C 21 1H2* C 21 -6.884 -17.081 -1.602
222 2HO* C 21 2HO* C 21 -8.347 -16.564 0.200
223 H1* C 21 H1* C 21 -7.071 -14.796 -0.054
224 1H4 C 21 1H4 C 21 -4.506 -13.295 -5.985
225 2H4 C 21 2H4 C 21 -6.162 -12.733 -5.999
226 H5 C 21 H5 C 21 -3.536 -14.497 -4.138
227 H6 C 21 H6 C 21 -3.948 -15.435 -1.912
228 H3T C 21 H3T C 21 -6.036 -18.677 1.107
Start of MODEL 18
1 1H5* G 1 1H5* G 1 -13.462 -8.421 -11.130
2 2H5* G 1 2H5* G 1 -13.770 -7.301 -9.777
3 H4* G 1 H4* G 1 -14.489 -9.616 -9.268
4 H3* G 1 H3* G 1 -12.070 -8.520 -7.801
5 H2* G 1 1H2* G 1 -11.937 -10.494 -6.531
6 2HO* G 1 2HO* G 1 -14.444 -11.317 -7.628
7 H1* G 1 H1* G 1 -12.451 -12.244 -8.589
8 H8 G 1 H8 G 1 -10.181 -10.147 -10.391
9 H1 G 1 H1 G 1 -7.093 -12.714 -5.442
10 1H2 G 1 1H2 G 1 -10.278 -13.462 -4.236
11 2H2 G 1 2H2 G 1 -8.549 -13.542 -3.985
12 H5T G 1 H5T G 1 -11.613 -7.332 -9.281
13 1H5* G 2 1H5* G 2 -14.615 -10.057 -4.374
14 2H5* G 2 2H5* G 2 -14.867 -8.524 -3.499
15 H4* G 2 H4* G 2 -14.217 -10.354 -1.975
16 H3* G 2 H3* G 2 -12.163 -8.186 -2.514
17 H2* G 2 1H2* G 2 -10.699 -9.187 -0.966
18 2HO* G 2 2HO* G 2 -11.875 -11.282 0.029
19 H1* G 2 H1* G 2 -11.141 -11.784 -1.737
20 H8 G 2 H8 G 2 -11.050 -9.617 -4.806
21 H1 G 2 H1 G 2 -5.227 -10.819 -2.519
22 1H2 G 2 1H2 G 2 -6.909 -12.060 0.270
23 2H2 G 2 2H2 G 2 -5.374 -11.741 -0.507
24 1H5* G 3 1H5* G 3 -11.749 -5.690 2.537
25 2H5* G 3 2H5* G 3 -11.091 -5.488 0.891
26 H4* G 3 H4* G 3 -10.461 -7.576 3.020
27 H3* G 3 H3* G 3 -8.931 -5.479 1.452
28 H2* G 3 1H2* G 3 -6.991 -6.790 1.567
29 2HO* G 3 2HO* G 3 -6.649 -7.754 3.415
30 H1* G 3 H1* G 3 -8.213 -9.231 1.152
31 H8 G 3 H8 G 3 -9.887 -7.395 -1.441
32 H1 G 3 H1 G 3 -3.645 -7.521 -2.703
33 1H2 G 3 1H2 G 3 -3.305 -8.499 0.626
34 2H2 G 3 2H2 G 3 -2.516 -8.125 -0.890
35 1H5* A 4 1H5* A 4 -5.928 -2.563 5.108
36 2H5* A 4 2H5* A 4 -6.536 -2.512 3.441
37 H4* A 4 H4* A 4 -4.594 -4.506 4.662
38 H3* A 4 H3* A 4 -4.510 -2.416 2.463
39 H2* A 4 1H2* A 4 -2.960 -3.713 1.274
40 2HO* A 4 2HO* A 4 -2.672 -5.271 3.656
41 H1* A 4 H1* A 4 -4.108 -6.170 1.782
42 H8 A 4 H8 A 4 -7.131 -4.490 0.913
43 1H6 A 4 1H6 A 4 -5.264 -3.807 -4.913
44 2H6 A 4 2H6 A 4 -6.637 -3.750 -3.831
45 H2 A 4 H2 A 4 -1.687 -4.895 -2.422
46 1H5* U 5 1H5* U 5 -0.546 -2.129 4.544
47 2H5* U 5 2H5* U 5 0.256 -0.554 4.382
48 H4* U 5 H4* U 5 1.443 -2.440 3.201
49 H3* U 5 H3* U 5 0.367 -0.045 1.682
50 H2* U 5 1H2* U 5 1.296 -0.881 -0.302
51 2HO* U 5 2HO* U 5 2.777 -2.662 1.374
52 H1* U 5 H1* U 5 0.693 -3.542 0.135
53 H3 U 5 H3 U 5 -1.653 -1.901 -3.466
54 H5 U 5 H5 U 5 -3.931 -0.887 -0.069
55 H6 U 5 H6 U 5 -2.076 -1.613 1.313
56 1H5* C 6 1H5* C 6 4.302 -0.530 -0.083
57 2H5* C 6 2H5* C 6 5.106 0.967 0.430
58 H4* C 6 H4* C 6 5.548 0.741 -1.913
59 H3* C 6 H3* C 6 3.326 2.701 -1.266
60 H2* C 6 1H2* C 6 3.107 3.226 -3.544
61 2HO* C 6 2HO* C 6 4.667 2.648 -5.078
62 H1* C 6 H1* C 6 3.410 0.658 -4.510
63 1H4 C 6 1H4 C 6 -2.862 1.454 -2.508
64 2H4 C 6 2H4 C 6 -2.868 1.730 -4.235
65 H5 C 6 H5 C 6 -0.853 1.063 -1.241
66 H6 C 6 H6 C 6 1.585 0.868 -1.353
67 1H5* A 7 1H5* A 7 6.365 4.238 -3.629
68 2H5* A 7 2H5* A 7 6.908 5.911 -3.390
69 H4* A 7 H4* A 7 6.315 5.297 -5.780
70 H3* A 7 H3* A 7 5.989 7.678 -4.498
71 H2* A 7 1H2* A 7 3.796 7.408 -3.767
72 2HO* A 7 2HO* A 7 2.613 8.770 -4.964
73 H1* A 7 H1* A 7 2.880 6.153 -6.340
74 H8 A 7 H8 A 7 2.962 5.905 -2.480
75 1H6 A 7 1H6 A 7 -2.858 3.955 -2.935
76 2H6 A 7 2H6 A 7 -1.580 4.407 -1.830
77 H2 A 7 H2 A 7 -1.217 4.441 -7.091
78 1H5* C 8 1H5* C 8 4.010 11.120 -7.714
79 2H5* C 8 2H5* C 8 3.594 9.595 -6.903
80 H4* C 8 H4* C 8 3.581 9.714 -9.917
81 H3* C 8 H3* C 8 1.449 10.781 -8.020
82 H2* C 8 1H2* C 8 -0.158 10.079 -9.612
83 2HO* C 8 2HO* C 8 0.433 10.369 -11.631
84 H1* C 8 H1* C 8 1.028 7.649 -10.102
85 1H4 C 8 1H4 C 8 -2.366 7.130 -4.438
86 2H4 C 8 2H4 C 8 -3.540 6.830 -5.700
87 H5 C 8 H5 C 8 -0.107 7.840 -4.881
88 H6 C 8 H6 C 8 1.520 8.396 -6.628
89 1H5* C 9 1H5* C 9 0.360 12.261 -11.834
90 2H5* C 9 2H5* C 9 -0.586 13.755 -11.687
91 H4* C 9 H4* C 9 -1.806 11.765 -12.721
92 H3* C 9 H3* C 9 -2.817 13.190 -10.235
93 H2* C 9 1H2* C 9 -4.749 11.857 -10.300
94 2HO* C 9 2HO* C 9 -5.520 10.976 -12.101
95 H1* C 9 H1* C 9 -3.488 9.502 -11.016
96 1H4 C 9 1H4 C 9 -3.032 10.191 -4.448
97 2H4 C 9 2H4 C 9 -4.556 9.376 -4.718
98 H5 C 9 H5 C 9 -1.652 11.036 -6.230
99 H6 C 9 H6 C 9 -1.433 11.283 -8.656
100 1H5* A 10 1H5* A 10 -6.408 13.416 -12.146
101 2H5* A 10 2H5* A 10 -7.257 14.794 -11.417
102 H4* A 10 H4* A 10 -7.988 12.381 -10.742
103 H3* A 10 H3* A 10 -7.379 14.666 -8.841
104 H2* A 10 1H2* A 10 -7.951 13.305 -7.009
105 2HO* A 10 2HO* A 10 -8.742 11.082 -8.500
106 H1* A 10 H1* A 10 -6.739 11.007 -7.910
107 H8 A 10 H8 A 10 -4.362 13.747 -8.714
108 1H6 A 10 1H6 A 10 -2.694 13.859 -2.788
109 2H6 A 10 2H6 A 10 -2.305 14.420 -4.398
110 H2 A 10 H2 A 10 -6.395 11.334 -3.149
111 1H5* U 11 1H5* U 11 -10.704 12.912 -7.376
112 2H5* U 11 2H5* U 11 -12.105 13.978 -7.605
113 H4* U 11 H4* U 11 -12.167 12.875 -5.391
114 H3* U 11 H3* U 11 -12.703 15.504 -5.833
115 H2* U 11 1H2* U 11 -10.543 16.352 -5.425
116 2HO* U 11 2HO* U 11 -12.060 16.341 -3.037
117 H1* U 11 H1* U 11 -10.183 14.619 -2.987
118 H3 U 11 H3 U 11 -5.894 15.844 -2.600
119 H5 U 11 H5 U 11 -6.475 15.893 -6.773
120 H6 U 11 H6 U 11 -8.777 15.236 -6.394
121 1H5* U 12 1H5* U 12 -15.793 14.509 -0.698
122 2H5* U 12 2H5* U 12 -14.341 15.459 -1.019
123 H4* U 12 H4* U 12 -14.353 12.481 -1.447
124 H3* U 12 H3* U 12 -14.985 13.506 0.992
125 H2* U 12 1H2* U 12 -13.193 14.926 1.296
126 2HO* U 12 2HO* U 12 -12.290 12.363 2.161
127 H1* U 12 H1* U 12 -11.180 13.019 0.137
128 H3 U 12 H3 U 12 -8.206 16.335 0.684
129 H5 U 12 H5 U 12 -11.454 18.276 -1.169
130 H6 U 12 H6 U 12 -12.686 16.190 -1.043
131 1H5* A 13 1H5* A 13 -17.298 10.562 -2.082
132 2H5* A 13 2H5* A 13 -16.986 9.352 -0.822
133 H4* A 13 H4* A 13 -15.862 9.291 -3.314
134 H3* A 13 H3* A 13 -15.453 7.985 -0.776
135 H2* A 13 1H2* A 13 -13.285 8.658 -0.455
136 2HO* A 13 2HO* A 13 -12.877 6.564 -1.177
137 H1* A 13 H1* A 13 -12.876 9.213 -3.399
138 H8 A 13 H8 A 13 -12.596 10.742 0.148
139 1H6 A 13 1H6 A 13 -7.109 12.850 -1.654
140 2H6 A 13 2H6 A 13 -8.212 12.695 -0.305
141 H2 A 13 H2 A 13 -9.066 10.845 -5.161
142 1H5* G 14 1H5* G 14 -13.573 3.871 -4.364
143 2H5* G 14 2H5* G 14 -13.164 5.016 -3.059
144 H4* G 14 H4* G 14 -14.593 6.099 -5.468
145 H3* G 14 H3* G 14 -11.814 4.888 -5.528
146 H2* G 14 1H2* G 14 -11.047 6.655 -6.841
147 2HO* G 14 2HO* G 14 -13.786 7.364 -7.261
148 H1* G 14 H1* G 14 -12.423 8.680 -5.579
149 H8 G 14 H8 G 14 -11.248 7.207 -2.654
150 H1 G 14 H1 G 14 -6.158 8.655 -6.200
151 1H2 G 14 1H2 G 14 -8.453 8.883 -8.816
152 2H2 G 14 2H2 G 14 -6.785 9.003 -8.302
153 1H5* G 15 1H5* G 15 -12.832 4.897 -9.652
154 2H5* G 15 2H5* G 15 -12.871 3.254 -10.348
155 H4* G 15 H4* G 15 -11.548 4.624 -11.809
156 H3* G 15 H3* G 15 -9.857 2.975 -9.903
157 H2* G 15 1H2* G 15 -7.912 3.778 -10.969
158 2HO* G 15 2HO* G 15 -9.702 4.721 -12.983
159 H1* G 15 H1* G 15 -8.718 6.390 -11.132
160 H8 G 15 H8 G 15 -9.907 5.064 -7.832
161 H1 G 15 H1 G 15 -3.644 6.251 -7.827
162 1H2 G 15 1H2 G 15 -4.022 6.590 -11.278
163 2H2 G 15 2H2 G 15 -2.944 6.630 -9.902
164 1H5* G 16 1H5* G 16 -8.204 2.494 -13.400
165 2H5* G 16 2H5* G 16 -7.909 0.818 -13.931
166 H4* G 16 H4* G 16 -5.876 2.181 -14.113
167 H3* G 16 H3* G 16 -5.925 0.168 -11.840
168 H2* G 16 1H2* G 16 -3.695 0.718 -11.355
169 2HO* G 16 2HO* G 16 -2.696 0.769 -13.312
170 H1* G 16 H1* G 16 -3.946 3.440 -11.764
171 H8 G 16 H8 G 16 -6.922 2.536 -9.786
172 H1 G 16 H1 G 16 -1.632 2.168 -6.247
173 1H2 G 16 1H2 G 16 0.048 2.334 -9.298
174 2H2 G 16 2H2 G 16 0.158 2.205 -7.556
175 1H5* A 17 1H5* A 17 -2.686 -1.410 -14.329
176 2H5* A 17 2H5* A 17 -2.333 -3.079 -13.839
177 H4* A 17 H4* A 17 -0.618 -1.228 -13.217
178 H3* A 17 H3* A 17 -1.782 -3.280 -11.310
179 H2* A 17 1H2* A 17 -0.424 -2.448 -9.582
180 2HO* A 17 2HO* A 17 1.206 -1.772 -11.647
181 H1* A 17 H1* A 17 -0.731 0.223 -10.168
182 H8 A 17 H8 A 17 -4.131 -1.174 -10.565
183 1H6 A 17 1H6 A 17 -4.650 -1.439 -4.437
184 2H6 A 17 2H6 A 17 -5.511 -1.545 -5.957
185 H2 A 17 H2 A 17 -0.340 -0.653 -5.438
186 1H5* U 18 1H5* U 18 2.268 -3.641 -10.956
187 2H5* U 18 2H5* U 18 2.910 -5.279 -10.716
188 H4* U 18 H4* U 18 3.460 -3.810 -8.802
189 H3* U 18 H3* U 18 1.504 -6.092 -8.384
190 H2* U 18 1H2* U 18 1.374 -5.573 -6.102
191 2HO* U 18 2HO* U 18 3.133 -4.967 -5.118
192 H1* U 18 H1* U 18 1.372 -2.827 -6.368
193 H3 U 18 H3 U 18 -2.717 -4.025 -4.750
194 H5 U 18 H5 U 18 -2.901 -4.907 -8.866
195 H6 U 18 H6 U 18 -0.527 -4.433 -9.008
196 1H5* C 19 1H5* C 19 4.630 -6.531 -5.150
197 2H5* C 19 2H5* C 19 5.045 -8.255 -5.227
198 H4* C 19 H4* C 19 4.520 -7.626 -2.915
199 H3* C 19 H3* C 19 2.520 -9.369 -4.386
200 H2* C 19 1H2* C 19 1.219 -9.533 -2.433
201 2HO* C 19 2HO* C 19 2.044 -9.351 -0.469
202 H1* C 19 H1* C 19 1.436 -6.902 -1.676
203 1H4 C 19 1H4 C 19 -3.103 -7.334 -6.494
204 2H4 C 19 2H4 C 19 -3.996 -7.312 -4.990
205 H5 C 19 H5 C 19 -0.701 -7.389 -6.601
206 H6 C 19 H6 C 19 1.367 -7.441 -5.294
207 1H5* U 20 1H5* U 20 3.103 -11.320 -0.897
208 2H5* U 20 2H5* U 20 3.006 -13.089 -1.017
209 H4* U 20 H4* U 20 1.201 -12.147 0.412
210 H3* U 20 H3* U 20 0.457 -13.462 -2.223
211 H2* U 20 1H2* U 20 -1.811 -13.199 -1.683
212 2HO* U 20 2HO* U 20 -0.903 -12.643 0.967
213 H1* U 20 H1* U 20 -1.588 -10.678 -0.570
214 H3 U 20 H3 U 20 -4.076 -10.109 -4.316
215 H5 U 20 H5 U 20 -0.182 -10.793 -5.776
216 H6 U 20 H6 U 20 0.517 -11.273 -3.504
217 1H5* C 21 1H5* C 21 -1.916 -15.099 0.887
218 2H5* C 21 2H5* C 21 -1.984 -16.869 0.771
219 H4* C 21 H4* C 21 -4.252 -16.024 0.976
220 H3* C 21 H3* C 21 -3.446 -16.988 -1.787
221 H2* C 21 1H2* C 21 -5.624 -16.588 -2.561
222 2HO* C 21 2HO* C 21 -7.308 -16.011 -0.979
223 H1* C 21 H1* C 21 -6.045 -14.230 -1.172
224 1H4 C 21 1H4 C 21 -2.770 -12.933 -6.795
225 2H4 C 21 2H4 C 21 -4.427 -12.441 -7.059
226 H5 C 21 H5 C 21 -2.018 -14.010 -4.775
227 H6 C 21 H6 C 21 -2.694 -14.853 -2.577
228 H3T C 21 H3T C 21 -5.139 -18.030 0.274
Start of MODEL 19
1 1H5* G 1 1H5* G 1 -12.415 -5.609 -10.375
2 2H5* G 1 2H5* G 1 -13.907 -5.286 -11.294
3 H4* G 1 H4* G 1 -15.180 -6.567 -9.678
4 H3* G 1 H3* G 1 -12.642 -6.379 -8.028
5 H2* G 1 1H2* G 1 -13.131 -8.466 -7.050
6 2HO* G 1 2HO* G 1 -15.128 -9.392 -7.096
7 H1* G 1 H1* G 1 -13.937 -9.718 -9.356
8 H8 G 1 H8 G 1 -11.122 -8.111 -10.823
9 H1 G 1 H1 G 1 -9.031 -11.854 -6.108
10 1H2 G 1 1H2 G 1 -12.362 -11.906 -5.081
11 2H2 G 1 2H2 G 1 -10.721 -12.439 -4.793
12 H5T G 1 H5T G 1 -14.573 -3.902 -9.731
13 1H5* G 2 1H5* G 2 -15.399 -6.682 -4.845
14 2H5* G 2 2H5* G 2 -15.040 -5.509 -3.550
15 H4* G 2 H4* G 2 -14.958 -7.910 -2.828
16 H3* G 2 H3* G 2 -12.400 -6.271 -2.827
17 H2* G 2 1H2* G 2 -11.270 -8.079 -1.849
18 2HO* G 2 2HO* G 2 -12.448 -8.944 -0.287
19 H1* G 2 H1* G 2 -12.502 -10.066 -3.322
20 H8 G 2 H8 G 2 -11.704 -7.619 -5.908
21 H1 G 2 H1 G 2 -6.352 -10.121 -3.519
22 1H2 G 2 1H2 G 2 -8.404 -11.280 -0.952
23 2H2 G 2 2H2 G 2 -6.791 -11.185 -1.622
24 1H5* G 3 1H5* G 3 -12.407 -7.349 2.550
25 2H5* G 3 2H5* G 3 -11.735 -5.705 2.384
26 H4* G 3 H4* G 3 -10.396 -7.849 3.411
27 H3* G 3 H3* G 3 -9.397 -5.479 1.802
28 H2* G 3 1H2* G 3 -7.212 -6.323 1.911
29 2HO* G 3 2HO* G 3 -6.512 -7.563 3.510
30 H1* G 3 H1* G 3 -7.861 -8.984 1.555
31 H8 G 3 H8 G 3 -9.888 -7.018 -0.882
32 H1 G 3 H1 G 3 -3.780 -7.393 -2.650
33 1H2 G 3 1H2 G 3 -3.244 -8.606 0.576
34 2H2 G 3 2H2 G 3 -2.554 -8.178 -0.973
35 1H5* A 4 1H5* A 4 -6.140 -2.696 5.420
36 2H5* A 4 2H5* A 4 -6.692 -2.688 3.733
37 H4* A 4 H4* A 4 -4.899 -4.758 5.064
38 H3* A 4 H3* A 4 -4.519 -2.579 2.989
39 H2* A 4 1H2* A 4 -2.917 -3.897 1.887
40 2HO* A 4 2HO* A 4 -1.650 -4.723 3.471
41 H1* A 4 H1* A 4 -4.252 -6.292 2.109
42 H8 A 4 H8 A 4 -7.036 -4.148 1.210
43 1H6 A 4 1H6 A 4 -4.776 -3.514 -4.481
44 2H6 A 4 2H6 A 4 -6.174 -3.273 -3.458
45 H2 A 4 H2 A 4 -1.562 -5.296 -1.898
46 1H5* U 5 1H5* U 5 -0.407 -2.753 4.310
47 2H5* U 5 2H5* U 5 0.249 -1.108 4.199
48 H4* U 5 H4* U 5 1.273 -2.824 2.607
49 H3* U 5 H3* U 5 -0.025 -0.250 1.655
50 H2* U 5 1H2* U 5 0.603 -0.759 -0.547
51 2HO* U 5 2HO* U 5 2.254 -2.836 0.518
52 H1* U 5 H1* U 5 0.086 -3.474 -0.425
53 H3 U 5 H3 U 5 -2.722 -1.332 -3.390
54 H5 U 5 H5 U 5 -4.575 -1.039 0.382
55 H6 U 5 H6 U 5 -2.534 -1.884 1.380
56 1H5* C 6 1H5* C 6 3.906 -0.567 -0.647
57 2H5* C 6 2H5* C 6 4.663 0.924 -0.046
58 H4* C 6 H4* C 6 4.946 0.923 -2.431
59 H3* C 6 H3* C 6 2.710 2.714 -1.437
60 H2* C 6 1H2* C 6 2.296 3.444 -3.625
61 2HO* C 6 2HO* C 6 4.228 3.863 -4.528
62 H1* C 6 H1* C 6 2.622 0.998 -4.861
63 1H4 C 6 1H4 C 6 -3.505 1.455 -2.345
64 2H4 C 6 2H4 C 6 -3.657 1.635 -4.079
65 H5 C 6 H5 C 6 -1.384 1.228 -1.224
66 H6 C 6 H6 C 6 1.046 1.137 -1.522
67 1H5* A 7 1H5* A 7 6.043 6.420 -1.676
68 2H5* A 7 2H5* A 7 4.808 7.695 -1.682
69 H4* A 7 H4* A 7 6.023 6.402 -3.926
70 H3* A 7 H3* A 7 4.847 8.803 -3.413
71 H2* A 7 1H2* A 7 2.628 8.141 -3.325
72 2HO* A 7 2HO* A 7 2.925 8.318 -6.157
73 H1* A 7 H1* A 7 2.823 6.248 -5.640
74 H8 A 7 H8 A 7 2.129 6.166 -1.829
75 1H6 A 7 1H6 A 7 -3.424 3.969 -3.349
76 2H6 A 7 2H6 A 7 -2.380 4.432 -2.023
77 H2 A 7 H2 A 7 -1.121 4.709 -7.137
78 1H5* C 8 1H5* C 8 3.589 11.605 -7.354
79 2H5* C 8 2H5* C 8 2.692 10.389 -6.420
80 H4* C 8 H4* C 8 3.055 10.326 -9.444
81 H3* C 8 H3* C 8 0.828 11.346 -7.651
82 H2* C 8 1H2* C 8 -0.761 10.576 -9.197
83 2HO* C 8 2HO* C 8 1.381 10.156 -11.045
84 H1* C 8 H1* C 8 0.528 8.216 -9.858
85 1H4 C 8 1H4 C 8 -2.946 7.095 -4.339
86 2H4 C 8 2H4 C 8 -4.026 6.702 -5.657
87 H5 C 8 H5 C 8 -0.779 8.093 -4.663
88 H6 C 8 H6 C 8 0.839 8.897 -6.318
89 1H5* C 9 1H5* C 9 -2.291 14.414 -9.767
90 2H5* C 9 2H5* C 9 -1.996 13.308 -8.409
91 H4* C 9 H4* C 9 -2.962 12.402 -11.151
92 H3* C 9 H3* C 9 -4.450 13.204 -8.632
93 H2* C 9 1H2* C 9 -5.994 11.473 -8.989
94 2HO* C 9 2HO* C 9 -4.856 11.119 -11.587
95 H1* C 9 H1* C 9 -4.193 9.562 -9.819
96 1H4 C 9 1H4 C 9 -4.063 9.666 -3.206
97 2H4 C 9 2H4 C 9 -5.448 8.675 -3.604
98 H5 C 9 H5 C 9 -2.793 10.881 -4.851
99 H6 C 9 H6 C 9 -2.552 11.382 -7.236
100 1H5* A 10 1H5* A 10 -7.696 12.655 -10.904
101 2H5* A 10 2H5* A 10 -9.017 13.660 -10.271
102 H4* A 10 H4* A 10 -9.107 11.110 -9.797
103 H3* A 10 H3* A 10 -9.372 13.298 -7.712
104 H2* A 10 1H2* A 10 -9.732 11.678 -6.043
105 2HO* A 10 2HO* A 10 -10.316 9.998 -8.247
106 H1* A 10 H1* A 10 -7.835 9.884 -6.906
107 H8 A 10 H8 A 10 -6.335 13.289 -7.239
108 1H6 A 10 1H6 A 10 -5.238 13.202 -1.179
109 2H6 A 10 2H6 A 10 -4.928 14.044 -2.680
110 H2 A 10 H2 A 10 -7.917 9.727 -2.168
111 1H5* U 11 1H5* U 11 -12.026 10.646 -6.677
112 2H5* U 11 2H5* U 11 -13.687 11.198 -6.974
113 H4* U 11 H4* U 11 -13.529 10.044 -4.802
114 H3* U 11 H3* U 11 -14.814 12.411 -5.197
115 H2* U 11 1H2* U 11 -13.065 13.861 -4.589
116 2HO* U 11 2HO* U 11 -14.915 14.094 -3.092
117 H1* U 11 H1* U 11 -12.289 12.183 -2.213
118 H3 U 11 H3 U 11 -8.604 14.640 -1.546
119 H5 U 11 H5 U 11 -8.966 14.671 -5.743
120 H6 U 11 H6 U 11 -10.983 13.346 -5.514
121 1H5* U 12 1H5* U 12 -17.686 9.753 -1.748
122 2H5* U 12 2H5* U 12 -17.744 10.536 -0.161
123 H4* U 12 H4* U 12 -15.863 8.609 -1.157
124 H3* U 12 H3* U 12 -17.006 9.244 1.231
125 H2* U 12 1H2* U 12 -15.892 11.223 1.669
126 2HO* U 12 2HO* U 12 -14.206 9.133 2.614
127 H1* U 12 H1* U 12 -13.232 10.241 0.672
128 H3 U 12 H3 U 12 -11.664 14.405 1.160
129 H5 U 12 H5 U 12 -15.505 15.055 -0.444
130 H6 U 12 H6 U 12 -15.862 12.657 -0.395
131 1H5* A 13 1H5* A 13 -17.243 6.837 -0.574
132 2H5* A 13 2H5* A 13 -17.798 5.152 -0.529
133 H4* A 13 H4* A 13 -16.591 5.172 -2.520
134 H3* A 13 H3* A 13 -15.369 3.855 -0.364
135 H2* A 13 1H2* A 13 -13.563 5.256 -0.061
136 2HO* A 13 2HO* A 13 -12.481 3.501 -0.878
137 H1* A 13 H1* A 13 -13.432 6.070 -2.956
138 H8 A 13 H8 A 13 -13.805 7.473 0.630
139 1H6 A 13 1H6 A 13 -9.247 11.320 -0.872
140 2H6 A 13 2H6 A 13 -10.294 10.777 0.419
141 H2 A 13 H2 A 13 -10.275 8.869 -4.488
142 1H5* G 14 1H5* G 14 -14.299 1.147 -4.762
143 2H5* G 14 2H5* G 14 -12.527 1.117 -4.947
144 H4* G 14 H4* G 14 -14.482 3.086 -5.804
145 H3* G 14 H3* G 14 -11.483 2.693 -6.038
146 H2* G 14 1H2* G 14 -11.259 4.857 -6.867
147 2HO* G 14 2HO* G 14 -13.015 6.072 -7.639
148 H1* G 14 H1* G 14 -13.102 6.083 -5.235
149 H8 G 14 H8 G 14 -11.509 4.513 -2.629
150 H1 G 14 H1 G 14 -7.054 7.815 -5.761
151 1H2 G 14 1H2 G 14 -9.361 7.809 -8.377
152 2H2 G 14 2H2 G 14 -7.783 8.298 -7.804
153 1H5* G 15 1H5* G 15 -12.748 3.555 -9.513
154 2H5* G 15 2H5* G 15 -13.356 2.813 -11.015
155 H4* G 15 H4* G 15 -11.731 4.001 -12.064
156 H3* G 15 H3* G 15 -9.944 2.182 -10.402
157 H2* G 15 1H2* G 15 -8.091 3.367 -11.264
158 2HO* G 15 2HO* G 15 -8.378 4.925 -12.958
159 H1* G 15 H1* G 15 -9.242 5.863 -11.031
160 H8 G 15 H8 G 15 -10.016 3.713 -8.018
161 H1 G 15 H1 G 15 -4.197 6.304 -7.791
162 1H2 G 15 1H2 G 15 -4.800 7.184 -11.111
163 2H2 G 15 2H2 G 15 -3.697 7.216 -9.754
164 1H5* G 16 1H5* G 16 -7.843 2.741 -13.684
165 2H5* G 16 2H5* G 16 -7.575 1.198 -14.535
166 H4* G 16 H4* G 16 -5.464 2.323 -14.438
167 H3* G 16 H3* G 16 -5.744 0.276 -12.210
168 H2* G 16 1H2* G 16 -3.518 0.713 -11.590
169 2HO* G 16 2HO* G 16 -2.047 1.359 -12.986
170 H1* G 16 H1* G 16 -3.645 3.451 -11.941
171 H8 G 16 H8 G 16 -6.777 2.390 -10.201
172 H1 G 16 H1 G 16 -1.748 2.379 -6.285
173 1H2 G 16 1H2 G 16 0.133 2.699 -9.206
174 2H2 G 16 2H2 G 16 0.128 2.561 -7.461
175 1H5* A 17 1H5* A 17 -2.645 -2.396 -14.235
176 2H5* A 17 2H5* A 17 -2.774 -3.732 -13.075
177 H4* A 17 H4* A 17 -0.870 -1.745 -12.975
178 H3* A 17 H3* A 17 -2.104 -3.486 -10.813
179 H2* A 17 1H2* A 17 -0.738 -2.418 -9.221
180 2HO* A 17 2HO* A 17 0.954 -0.980 -9.889
181 H1* A 17 H1* A 17 -1.037 0.131 -10.221
182 H8 A 17 H8 A 17 -4.487 -0.750 -10.404
183 1H6 A 17 1H6 A 17 -4.897 -1.136 -4.271
184 2H6 A 17 2H6 A 17 -5.801 -1.026 -5.765
185 H2 A 17 H2 A 17 -0.543 -1.125 -5.378
186 1H5* U 18 1H5* U 18 2.022 -4.501 -10.863
187 2H5* U 18 2H5* U 18 2.465 -6.206 -10.639
188 H4* U 18 H4* U 18 3.470 -4.846 -8.866
189 H3* U 18 H3* U 18 1.170 -6.665 -8.089
190 H2* U 18 1H2* U 18 1.447 -6.053 -5.835
191 2HO* U 18 2HO* U 18 3.952 -4.990 -6.695
192 H1* U 18 H1* U 18 1.844 -3.371 -6.274
193 H3 U 18 H3 U 18 -2.216 -4.081 -4.230
194 H5 U 18 H5 U 18 -2.922 -4.542 -8.360
195 H6 U 18 H6 U 18 -0.525 -4.471 -8.713
196 1H5* C 19 1H5* C 19 4.347 -8.419 -5.852
197 2H5* C 19 2H5* C 19 4.260 -10.193 -5.824
198 H4* C 19 H4* C 19 4.036 -9.275 -3.549
199 H3* C 19 H3* C 19 1.600 -10.558 -4.820
200 H2* C 19 1H2* C 19 0.392 -10.247 -2.835
201 2HO* C 19 2HO* C 19 2.550 -9.236 -1.360
202 H1* C 19 H1* C 19 1.364 -7.734 -2.238
203 1H4 C 19 1H4 C 19 -3.562 -7.105 -6.627
204 2H4 C 19 2H4 C 19 -4.318 -7.001 -5.054
205 H5 C 19 H5 C 19 -1.224 -7.598 -6.936
206 H6 C 19 H6 C 19 0.886 -8.121 -5.806
207 1H5* U 20 1H5* U 20 1.596 -12.301 -1.275
208 2H5* U 20 2H5* U 20 1.162 -14.022 -1.320
209 H4* U 20 H4* U 20 -0.501 -12.736 -0.036
210 H3* U 20 H3* U 20 -1.352 -13.874 -2.720
211 H2* U 20 1H2* U 20 -3.538 -13.115 -2.334
212 2HO* U 20 2HO* U 20 -3.162 -12.128 0.230
213 H1* U 20 H1* U 20 -2.851 -10.698 -1.177
214 H3 U 20 H3 U 20 -4.906 -9.646 -5.083
215 H5 U 20 H5 U 20 -1.115 -11.064 -6.263
216 H6 U 20 H6 U 20 -0.706 -11.696 -3.958
217 1H5* C 21 1H5* C 21 -4.489 -15.074 0.219
218 2H5* C 21 2H5* C 21 -4.646 -16.821 -0.053
219 H4* C 21 H4* C 21 -6.867 -15.858 -0.080
220 H3* C 21 H3* C 21 -5.746 -16.596 -2.804
221 H2* C 21 1H2* C 21 -7.779 -15.979 -3.800
222 2HO* C 21 2HO* C 21 -8.899 -15.869 -1.169
223 H1* C 21 H1* C 21 -8.255 -13.748 -2.232
224 1H4 C 21 1H4 C 21 -4.236 -12.214 -7.289
225 2H4 C 21 2H4 C 21 -5.790 -11.492 -7.640
226 H5 C 21 H5 C 21 -3.823 -13.579 -5.346
227 H6 C 21 H6 C 21 -4.818 -14.563 -3.335
228 H3T C 21 H3T C 21 -6.185 -18.334 -1.474
Start of MODEL 20
1 1H5* G 1 1H5* G 1 -12.482 -4.076 -8.490
2 2H5* G 1 2H5* G 1 -12.820 -3.907 -6.747
3 H4* G 1 H4* G 1 -14.010 -5.831 -7.769
4 H3* G 1 H3* G 1 -11.746 -6.405 -5.832
5 H2* G 1 1H2* G 1 -12.188 -8.709 -5.992
6 2HO* G 1 2HO* G 1 -14.628 -8.135 -6.074
7 H1* G 1 H1* G 1 -12.601 -8.777 -8.709
8 H8 G 1 H8 G 1 -9.733 -6.706 -8.901
9 H1 G 1 H1 G 1 -8.023 -12.137 -6.032
10 1H2 G 1 1H2 G 1 -11.446 -12.633 -5.600
11 2H2 G 1 2H2 G 1 -9.823 -13.237 -5.347
12 H5T G 1 H5T G 1 -10.708 -3.762 -6.734
13 1H5* G 2 1H5* G 2 -14.939 -8.139 -2.998
14 2H5* G 2 2H5* G 2 -14.681 -7.035 -1.622
15 H4* G 2 H4* G 2 -14.561 -9.402 -0.933
16 H3* G 2 H3* G 2 -11.965 -7.832 -0.987
17 H2* G 2 1H2* G 2 -10.820 -9.690 -0.112
18 2HO* G 2 2HO* G 2 -13.425 -10.646 0.528
19 H1* G 2 H1* G 2 -12.061 -11.593 -1.654
20 H8 G 2 H8 G 2 -11.553 -8.959 -4.118
21 H1 G 2 H1 G 2 -5.927 -11.304 -2.264
22 1H2 G 2 1H2 G 2 -7.729 -12.735 0.354
23 2H2 G 2 2H2 G 2 -6.175 -12.507 -0.417
24 1H5* G 3 1H5* G 3 -11.026 -9.946 3.420
25 2H5* G 3 2H5* G 3 -11.519 -8.364 4.077
26 H4* G 3 H4* G 3 -9.324 -8.926 4.938
27 H3* G 3 H3* G 3 -9.273 -6.925 2.652
28 H2* G 3 1H2* G 3 -6.945 -6.680 2.977
29 2HO* G 3 2HO* G 3 -7.106 -8.372 5.268
30 H1* G 3 H1* G 3 -6.419 -9.351 3.217
31 H8 G 3 H8 G 3 -9.148 -8.745 0.660
32 H1 G 3 H1 G 3 -3.314 -7.642 -1.653
33 1H2 G 3 1H2 G 3 -2.271 -8.001 1.656
34 2H2 G 3 2H2 G 3 -1.823 -7.695 -0.006
35 1H5* A 4 1H5* A 4 -7.086 -4.963 5.811
36 2H5* A 4 2H5* A 4 -7.004 -3.223 5.464
37 H4* A 4 H4* A 4 -4.812 -4.644 5.333
38 H3* A 4 H3* A 4 -5.769 -2.733 3.166
39 H2* A 4 1H2* A 4 -3.692 -3.072 2.090
40 2HO* A 4 2HO* A 4 -1.930 -3.882 3.094
41 H1* A 4 H1* A 4 -3.628 -5.794 2.496
42 H8 A 4 H8 A 4 -7.139 -5.000 1.561
43 1H6 A 4 1H6 A 4 -5.320 -4.443 -4.295
44 2H6 A 4 2H6 A 4 -6.701 -4.552 -3.226
45 H2 A 4 H2 A 4 -1.649 -4.659 -1.714
46 1H5* U 5 1H5* U 5 -1.893 -1.589 4.701
47 2H5* U 5 2H5* U 5 -1.446 0.106 4.419
48 H4* U 5 H4* U 5 0.065 -1.719 3.380
49 H3* U 5 H3* U 5 -1.157 0.590 1.832
50 H2* U 5 1H2* U 5 0.016 -0.102 -0.079
51 2HO* U 5 2HO* U 5 1.702 -1.642 0.029
52 H1* U 5 H1* U 5 -0.330 -2.820 0.290
53 H3 U 5 H3 U 5 -2.471 -1.318 -3.508
54 H5 U 5 H5 U 5 -5.208 -0.798 -0.345
55 H6 U 5 H6 U 5 -3.414 -1.306 1.206
56 1H5* C 6 1H5* C 6 2.826 0.267 0.488
57 2H5* C 6 2H5* C 6 3.604 1.810 0.893
58 H4* C 6 H4* C 6 4.179 1.294 -1.393
59 H3* C 6 H3* C 6 2.037 3.411 -1.048
60 H2* C 6 1H2* C 6 1.947 3.725 -3.372
61 2HO* C 6 2HO* C 6 4.226 2.046 -3.714
62 H1* C 6 H1* C 6 2.169 1.064 -4.081
63 1H4 C 6 1H4 C 6 -4.151 2.296 -2.496
64 2H4 C 6 2H4 C 6 -4.068 2.351 -4.242
65 H5 C 6 H5 C 6 -2.219 1.999 -1.092
66 H6 C 6 H6 C 6 0.213 1.714 -1.055
67 1H5* A 7 1H5* A 7 5.314 4.662 -3.160
68 2H5* A 7 2H5* A 7 6.007 6.287 -2.980
69 H4* A 7 H4* A 7 5.462 5.665 -5.357
70 H3* A 7 H3* A 7 5.183 8.099 -4.165
71 H2* A 7 1H2* A 7 2.952 7.941 -3.517
72 2HO* A 7 2HO* A 7 2.523 9.667 -4.687
73 H1* A 7 H1* A 7 2.091 6.645 -6.088
74 H8 A 7 H8 A 7 1.973 6.599 -2.226
75 1H6 A 7 1H6 A 7 -3.839 4.673 -2.863
76 2H6 A 7 2H6 A 7 -2.615 5.185 -1.723
77 H2 A 7 H2 A 7 -1.977 4.883 -6.949
78 1H5* C 8 1H5* C 8 3.423 11.332 -7.735
79 2H5* C 8 2H5* C 8 3.041 9.823 -6.880
80 H4* C 8 H4* C 8 3.395 9.652 -9.848
81 H3* C 8 H3* C 8 1.069 11.019 -8.443
82 H2* C 8 1H2* C 8 -0.371 10.092 -10.064
83 2HO* C 8 2HO* C 8 0.398 9.124 -11.956
84 H1* C 8 H1* C 8 0.812 7.602 -10.111
85 1H4 C 8 1H4 C 8 -3.233 7.748 -4.884
86 2H4 C 8 2H4 C 8 -4.269 7.361 -6.239
87 H5 C 8 H5 C 8 -0.917 8.360 -5.128
88 H6 C 8 H6 C 8 0.916 8.706 -6.717
89 1H5* C 9 1H5* C 9 0.452 12.226 -12.595
90 2H5* C 9 2H5* C 9 -0.569 13.678 -12.559
91 H4* C 9 H4* C 9 -1.578 11.491 -13.540
92 H3* C 9 H3* C 9 -2.884 13.227 -11.417
93 H2* C 9 1H2* C 9 -4.768 11.827 -11.458
94 2HO* C 9 2HO* C 9 -4.555 11.707 -13.917
95 H1* C 9 H1* C 9 -3.411 9.430 -11.703
96 1H4 C 9 1H4 C 9 -3.567 11.016 -5.278
97 2H4 C 9 2H4 C 9 -5.049 10.132 -5.567
98 H5 C 9 H5 C 9 -2.047 11.654 -7.033
99 H6 C 9 H6 C 9 -1.612 11.577 -9.443
100 1H5* A 10 1H5* A 10 -6.190 12.729 -13.810
101 2H5* A 10 2H5* A 10 -7.253 14.124 -13.529
102 H4* A 10 H4* A 10 -7.986 11.853 -12.524
103 H3* A 10 H3* A 10 -7.733 14.453 -10.975
104 H2* A 10 1H2* A 10 -8.519 13.380 -9.030
105 2HO* A 10 2HO* A 10 -9.128 11.066 -10.589
106 H1* A 10 H1* A 10 -7.100 11.049 -9.340
107 H8 A 10 H8 A 10 -4.819 13.840 -10.324
108 1H6 A 10 1H6 A 10 -3.826 14.905 -4.342
109 2H6 A 10 2H6 A 10 -3.306 15.277 -5.971
110 H2 A 10 H2 A 10 -7.265 12.034 -4.696
111 1H5* U 11 1H5* U 11 -11.041 12.754 -9.507
112 2H5* U 11 2H5* U 11 -12.461 13.657 -10.073
113 H4* U 11 H4* U 11 -12.695 13.048 -7.694
114 H3* U 11 H3* U 11 -13.238 15.507 -8.735
115 H2* U 11 1H2* U 11 -11.190 16.543 -8.291
116 2HO* U 11 2HO* U 11 -11.432 17.720 -6.264
117 H1* U 11 H1* U 11 -10.968 15.330 -5.544
118 H3 U 11 H3 U 11 -6.719 16.660 -5.094
119 H5 U 11 H5 U 11 -7.075 16.177 -9.264
120 H6 U 11 H6 U 11 -9.373 15.485 -8.923
121 1H5* U 12 1H5* U 12 -16.792 14.782 -4.104
122 2H5* U 12 2H5* U 12 -15.340 15.655 -4.609
123 H4* U 12 H4* U 12 -15.106 12.724 -4.092
124 H3* U 12 H3* U 12 -16.311 14.209 -2.152
125 H2* U 12 1H2* U 12 -14.735 15.904 -1.962
126 2HO* U 12 2HO* U 12 -13.367 15.425 -0.169
127 H1* U 12 H1* U 12 -12.393 14.027 -2.180
128 H3 U 12 H3 U 12 -9.598 17.504 -2.298
129 H5 U 12 H5 U 12 -12.878 18.910 -4.535
130 H6 U 12 H6 U 12 -13.995 16.807 -4.100
131 1H5* A 13 1H5* A 13 -17.031 11.967 -3.424
132 2H5* A 13 2H5* A 13 -18.177 10.616 -3.337
133 H4* A 13 H4* A 13 -16.847 9.854 -5.060
134 H3* A 13 H3* A 13 -16.280 8.647 -2.586
135 H2* A 13 1H2* A 13 -14.144 9.465 -2.281
136 2HO* A 13 2HO* A 13 -13.916 7.198 -2.904
137 H1* A 13 H1* A 13 -13.577 9.651 -5.237
138 H8 A 13 H8 A 13 -13.604 11.608 -1.910
139 1H6 A 13 1H6 A 13 -8.124 13.805 -3.613
140 2H6 A 13 2H6 A 13 -9.304 13.744 -2.323
141 H2 A 13 H2 A 13 -9.743 11.304 -6.967
142 1H5* G 14 1H5* G 14 -14.223 4.322 -5.721
143 2H5* G 14 2H5* G 14 -13.932 5.616 -4.528
144 H4* G 14 H4* G 14 -15.090 6.369 -7.202
145 H3* G 14 H3* G 14 -12.306 5.248 -6.764
146 H2* G 14 1H2* G 14 -11.413 6.863 -8.188
147 2HO* G 14 2HO* G 14 -14.062 7.052 -9.153
148 H1* G 14 H1* G 14 -12.979 8.981 -7.383
149 H8 G 14 H8 G 14 -12.138 7.979 -4.170
150 H1 G 14 H1 G 14 -6.680 9.089 -7.264
151 1H2 G 14 1H2 G 14 -8.645 8.847 -10.138
152 2H2 G 14 2H2 G 14 -7.054 9.103 -9.455
153 1H5* G 15 1H5* G 15 -13.074 4.405 -11.045
154 2H5* G 15 2H5* G 15 -12.663 2.717 -11.449
155 H4* G 15 H4* G 15 -11.524 4.321 -12.938
156 H3* G 15 H3* G 15 -9.823 2.864 -10.892
157 H2* G 15 1H2* G 15 -7.891 3.875 -11.772
158 2HO* G 15 2HO* G 15 -9.441 4.947 -13.914
159 H1* G 15 H1* G 15 -8.956 6.384 -12.099
160 H8 G 15 H8 G 15 -10.293 5.190 -8.851
161 H1 G 15 H1 G 15 -4.098 6.622 -8.428
162 1H2 G 15 1H2 G 15 -4.195 6.694 -11.914
163 2H2 G 15 2H2 G 15 -3.240 6.875 -10.461
164 1H5* G 16 1H5* G 16 -7.640 2.738 -14.267
165 2H5* G 16 2H5* G 16 -7.178 1.072 -14.699
166 H4* G 16 H4* G 16 -5.246 2.620 -14.699
167 H3* G 16 H3* G 16 -5.383 0.550 -12.483
168 H2* G 16 1H2* G 16 -3.263 1.232 -11.742
169 2HO* G 16 2HO* G 16 -2.240 1.359 -13.791
170 H1* G 16 H1* G 16 -3.662 3.941 -12.096
171 H8 G 16 H8 G 16 -6.787 2.774 -10.540
172 H1 G 16 H1 G 16 -1.968 2.548 -6.376
173 1H2 G 16 1H2 G 16 0.066 2.975 -9.177
174 2H2 G 16 2H2 G 16 -0.034 2.764 -7.443
175 1H5* A 17 1H5* A 17 -1.842 -0.540 -14.359
176 2H5* A 17 2H5* A 17 -1.473 -2.272 -14.227
177 H4* A 17 H4* A 17 0.117 -0.811 -12.946
178 H3* A 17 H3* A 17 -1.662 -2.770 -11.446
179 H2* A 17 1H2* A 17 -0.453 -2.248 -9.488
180 2HO* A 17 2HO* A 17 1.448 -0.900 -9.614
181 H1* A 17 H1* A 17 -0.347 0.467 -9.946
182 H8 A 17 H8 A 17 -3.800 -0.533 -10.863
183 1H6 A 17 1H6 A 17 -5.162 -0.936 -4.874
184 2H6 A 17 2H6 A 17 -5.817 -0.905 -6.495
185 H2 A 17 H2 A 17 -0.702 -0.558 -5.264
186 1H5* U 18 1H5* U 18 2.220 -3.402 -10.337
187 2H5* U 18 2H5* U 18 2.683 -5.099 -10.090
188 H4* U 18 H4* U 18 3.143 -3.697 -8.086
189 H3* U 18 H3* U 18 0.979 -5.826 -7.878
190 H2* U 18 1H2* U 18 0.902 -5.391 -5.558
191 2HO* U 18 2HO* U 18 2.756 -3.449 -5.278
192 H1* U 18 H1* U 18 1.035 -2.650 -5.804
193 H3 U 18 H3 U 18 -3.095 -3.888 -4.237
194 H5 U 18 H5 U 18 -3.320 -4.299 -8.426
195 H6 U 18 H6 U 18 -0.926 -3.928 -8.526
196 1H5* C 19 1H5* C 19 4.486 -8.030 -5.815
197 2H5* C 19 2H5* C 19 4.060 -9.752 -5.786
198 H4* C 19 H4* C 19 4.124 -8.548 -3.520
199 H3* C 19 H3* C 19 1.688 -10.050 -4.539
200 H2* C 19 1H2* C 19 0.640 -9.682 -2.468
201 2HO* C 19 2HO* C 19 3.235 -8.935 -1.534
202 H1* C 19 H1* C 19 1.523 -7.082 -2.134
203 1H4 C 19 1H4 C 19 -3.863 -6.941 -5.980
204 2H4 C 19 2H4 C 19 -4.471 -6.918 -4.339
205 H5 C 19 H5 C 19 -1.529 -7.231 -6.517
206 H6 C 19 H6 C 19 0.718 -7.564 -5.599
207 1H5* U 20 1H5* U 20 2.462 -12.436 -1.126
208 2H5* U 20 2H5* U 20 2.188 -14.150 -1.501
209 H4* U 20 H4* U 20 0.633 -13.345 0.252
210 H3* U 20 H3* U 20 -0.476 -14.106 -2.467
211 H2* U 20 1H2* U 20 -2.658 -13.705 -1.704
212 2HO* U 20 2HO* U 20 -3.234 -13.780 0.384
213 H1* U 20 H1* U 20 -2.094 -11.438 -0.231
214 H3 U 20 H3 U 20 -4.702 -10.180 -3.758
215 H5 U 20 H5 U 20 -0.847 -10.638 -5.392
216 H6 U 20 H6 U 20 -0.127 -11.564 -3.271
217 1H5* C 21 1H5* C 21 -3.563 -18.284 -0.841
218 2H5* C 21 2H5* C 21 -3.392 -17.811 -2.543
219 H4* C 21 H4* C 21 -5.552 -17.196 -0.611
220 H3* C 21 H3* C 21 -5.196 -17.407 -3.618
221 H2* C 21 1H2* C 21 -7.167 -16.185 -3.950
222 2HO* C 21 2HO* C 21 -7.703 -16.587 -1.169
223 H1* C 21 H1* C 21 -6.790 -14.362 -1.906
224 1H4 C 21 1H4 C 21 -3.344 -12.261 -7.154
225 2H4 C 21 2H4 C 21 -4.962 -11.646 -7.405
226 H5 C 21 H5 C 21 -2.761 -13.749 -5.354
227 H6 C 21 H6 C 21 -3.603 -14.978 -3.411
228 H3T C 21 H3T C 21 -7.159 -18.494 -1.852
Start of MODEL 21
1 1H5* G 1 1H5* G 1 -15.414 -9.869 -9.754
2 2H5* G 1 2H5* G 1 -15.475 -8.436 -8.696
3 H4* G 1 H4* G 1 -16.346 -10.461 -7.575
4 H3* G 1 H3* G 1 -13.681 -9.362 -6.631
5 H2* G 1 1H2* G 1 -13.611 -10.987 -4.933
6 2HO* G 1 2HO* G 1 -16.215 -11.914 -5.570
7 H1* G 1 H1* G 1 -14.505 -13.090 -6.457
8 H8 G 1 H8 G 1 -12.245 -11.636 -8.864
9 H1 G 1 H1 G 1 -8.922 -13.581 -3.784
10 1H2 G 1 1H2 G 1 -12.027 -13.761 -2.206
11 2H2 G 1 2H2 G 1 -10.294 -13.976 -2.085
12 H5T G 1 H5T G 1 -13.478 -8.850 -9.963
13 1H5* G 2 1H5* G 2 -15.406 -10.307 -3.063
14 2H5* G 2 2H5* G 2 -15.763 -8.757 -2.258
15 H4* G 2 H4* G 2 -14.780 -10.256 -0.638
16 H3* G 2 H3* G 2 -12.825 -8.218 -1.751
17 H2* G 2 1H2* G 2 -11.184 -9.013 -0.258
18 2HO* G 2 2HO* G 2 -13.313 -10.446 1.003
19 H1* G 2 H1* G 2 -11.706 -11.678 -0.627
20 H8 G 2 H8 G 2 -12.006 -10.124 -3.997
21 H1 G 2 H1 G 2 -5.924 -10.524 -2.134
22 1H2 G 2 1H2 G 2 -7.253 -11.264 1.003
23 2H2 G 2 2H2 G 2 -5.822 -11.026 0.025
24 1H5* G 3 1H5* G 3 -12.399 -8.138 2.330
25 2H5* G 3 2H5* G 3 -12.287 -6.487 2.995
26 H4* G 3 H4* G 3 -10.397 -7.968 3.672
27 H3* G 3 H3* G 3 -9.827 -5.633 1.819
28 H2* G 3 1H2* G 3 -7.536 -6.120 1.928
29 2HO* G 3 2HO* G 3 -7.322 -6.440 4.156
30 H1* G 3 H1* G 3 -7.781 -8.873 1.852
31 H8 G 3 H8 G 3 -10.099 -7.366 -0.686
32 H1 G 3 H1 G 3 -4.033 -7.367 -2.643
33 1H2 G 3 1H2 G 3 -3.290 -8.195 0.663
34 2H2 G 3 2H2 G 3 -2.690 -7.860 -0.946
35 1H5* A 4 1H5* A 4 -6.405 -2.697 5.301
36 2H5* A 4 2H5* A 4 -6.895 -2.666 3.595
37 H4* A 4 H4* A 4 -4.926 -4.564 4.927
38 H3* A 4 H3* A 4 -4.782 -2.381 2.824
39 H2* A 4 1H2* A 4 -3.057 -3.533 1.730
40 2HO* A 4 2HO* A 4 -2.875 -5.422 3.846
41 H1* A 4 H1* A 4 -4.088 -6.074 2.046
42 H8 A 4 H8 A 4 -7.075 -4.265 1.023
43 1H6 A 4 1H6 A 4 -4.862 -3.830 -4.706
44 2H6 A 4 2H6 A 4 -6.284 -3.667 -3.701
45 H2 A 4 H2 A 4 -1.495 -5.077 -2.004
46 1H5* U 5 1H5* U 5 -0.695 -2.795 4.220
47 2H5* U 5 2H5* U 5 0.021 -1.181 4.406
48 H4* U 5 H4* U 5 1.377 -2.631 2.909
49 H3* U 5 H3* U 5 -0.020 -0.192 1.767
50 H2* U 5 1H2* U 5 0.956 -0.601 -0.326
51 2HO* U 5 2HO* U 5 2.660 -2.115 -0.588
52 H1* U 5 H1* U 5 0.673 -3.342 -0.306
53 H3 U 5 H3 U 5 -2.063 -1.664 -3.555
54 H5 U 5 H5 U 5 -4.170 -1.069 0.042
55 H6 U 5 H6 U 5 -2.180 -1.754 1.246
56 1H5* C 6 1H5* C 6 4.042 -0.245 0.232
57 2H5* C 6 2H5* C 6 4.730 1.341 0.640
58 H4* C 6 H4* C 6 5.216 0.892 -1.691
59 H3* C 6 H3* C 6 3.008 2.905 -1.173
60 H2* C 6 1H2* C 6 2.787 3.277 -3.481
61 2HO* C 6 2HO* C 6 4.358 2.430 -4.974
62 H1* C 6 H1* C 6 3.097 0.649 -4.280
63 1H4 C 6 1H4 C 6 -3.202 1.534 -2.404
64 2H4 C 6 2H4 C 6 -3.202 1.559 -4.153
65 H5 C 6 H5 C 6 -1.194 1.390 -1.088
66 H6 C 6 H6 C 6 1.249 1.238 -1.159
67 1H5* A 7 1H5* A 7 5.921 4.326 -3.655
68 2H5* A 7 2H5* A 7 6.473 6.006 -3.511
69 H4* A 7 H4* A 7 5.726 5.326 -5.833
70 H3* A 7 H3* A 7 5.443 7.738 -4.600
71 H2* A 7 1H2* A 7 3.309 7.456 -3.714
72 2HO* A 7 2HO* A 7 1.975 8.714 -4.906
73 H1* A 7 H1* A 7 2.245 6.114 -6.183
74 H8 A 7 H8 A 7 2.610 5.943 -2.334
75 1H6 A 7 1H6 A 7 -3.202 3.911 -2.324
76 2H6 A 7 2H6 A 7 -1.846 4.384 -1.324
77 H2 A 7 H2 A 7 -1.891 4.382 -6.597
78 1H5* C 8 1H5* C 8 2.975 9.355 -6.988
79 2H5* C 8 2H5* C 8 3.199 10.924 -7.789
80 H4* C 8 H4* C 8 2.960 9.326 -9.971
81 H3* C 8 H3* C 8 0.844 10.685 -8.272
82 H2* C 8 1H2* C 8 -0.823 9.776 -9.653
83 2HO* C 8 2HO* C 8 -0.309 9.924 -11.715
84 H1* C 8 H1* C 8 0.348 7.295 -10.003
85 1H4 C 8 1H4 C 8 -2.983 7.115 -4.296
86 2H4 C 8 2H4 C 8 -4.175 6.753 -5.524
87 H5 C 8 H5 C 8 -0.729 7.782 -4.806
88 H6 C 8 H6 C 8 0.876 8.254 -6.597
89 1H5* C 9 1H5* C 9 -1.308 13.136 -12.057
90 2H5* C 9 2H5* C 9 -2.229 13.634 -10.624
91 H4* C 9 H4* C 9 -2.898 11.638 -12.615
92 H3* C 9 H3* C 9 -4.217 12.880 -10.180
93 H2* C 9 1H2* C 9 -5.896 11.248 -10.247
94 2HO* C 9 2HO* C 9 -4.929 10.641 -12.867
95 H1* C 9 H1* C 9 -4.273 9.109 -10.896
96 1H4 C 9 1H4 C 9 -3.887 9.939 -4.345
97 2H4 C 9 2H4 C 9 -5.400 9.094 -4.585
98 H5 C 9 H5 C 9 -2.544 10.781 -6.161
99 H6 C 9 H6 C 9 -2.358 10.992 -8.594
100 1H5* A 10 1H5* A 10 -7.663 12.572 -12.262
101 2H5* A 10 2H5* A 10 -8.786 13.811 -11.664
102 H4* A 10 H4* A 10 -9.227 11.378 -10.924
103 H3* A 10 H3* A 10 -8.945 13.737 -9.034
104 H2* A 10 1H2* A 10 -9.392 12.336 -7.199
105 2HO* A 10 2HO* A 10 -10.744 10.883 -9.087
106 H1* A 10 H1* A 10 -7.903 10.183 -8.048
107 H8 A 10 H8 A 10 -5.822 13.152 -8.823
108 1H6 A 10 1H6 A 10 -4.319 13.489 -2.862
109 2H6 A 10 2H6 A 10 -3.947 14.069 -4.470
110 H2 A 10 H2 A 10 -7.743 10.606 -3.280
111 1H5* U 11 1H5* U 11 -12.036 11.476 -7.364
112 2H5* U 11 2H5* U 11 -13.500 12.408 -7.731
113 H4* U 11 H4* U 11 -13.555 11.501 -5.425
114 H3* U 11 H3* U 11 -14.269 14.034 -6.143
115 H2* U 11 1H2* U 11 -12.228 15.100 -5.722
116 2HO* U 11 2HO* U 11 -13.898 15.991 -4.303
117 H1* U 11 H1* U 11 -11.787 13.613 -3.140
118 H3 U 11 H3 U 11 -7.603 15.178 -2.800
119 H5 U 11 H5 U 11 -8.153 14.970 -6.971
120 H6 U 11 H6 U 11 -10.391 14.131 -6.569
121 1H5* U 12 1H5* U 12 -17.364 11.753 -1.631
122 2H5* U 12 2H5* U 12 -16.168 13.029 -1.870
123 H4* U 12 H4* U 12 -15.360 10.132 -1.890
124 H3* U 12 H3* U 12 -16.606 11.182 0.293
125 H2* U 12 1H2* U 12 -15.300 13.065 0.595
126 2HO* U 12 2HO* U 12 -14.942 11.391 2.389
127 H1* U 12 H1* U 12 -12.721 11.646 -0.026
128 H3 U 12 H3 U 12 -10.549 15.541 0.114
129 H5 U 12 H5 U 12 -14.216 16.622 -1.654
130 H6 U 12 H6 U 12 -14.925 14.316 -1.442
131 1H5* A 13 1H5* A 13 -17.213 8.987 -1.042
132 2H5* A 13 2H5* A 13 -18.076 7.437 -1.019
133 H4* A 13 H4* A 13 -16.789 7.129 -2.913
134 H3* A 13 H3* A 13 -15.777 5.830 -0.609
135 H2* A 13 1H2* A 13 -13.743 6.898 -0.473
136 2HO* A 13 2HO* A 13 -13.276 4.789 -1.416
137 H1* A 13 H1* A 13 -13.643 7.510 -3.422
138 H8 A 13 H8 A 13 -13.489 9.083 0.105
139 1H6 A 13 1H6 A 13 -8.619 12.208 -1.969
140 2H6 A 13 2H6 A 13 -9.592 11.845 -0.562
141 H2 A 13 H2 A 13 -10.347 9.852 -5.377
142 1H5* G 14 1H5* G 14 -13.606 2.253 -4.523
143 2H5* G 14 2H5* G 14 -13.315 3.432 -3.218
144 H4* G 14 H4* G 14 -15.082 4.280 -5.492
145 H3* G 14 H3* G 14 -12.148 3.571 -5.778
146 H2* G 14 1H2* G 14 -11.795 5.465 -7.094
147 2HO* G 14 2HO* G 14 -13.379 6.509 -8.197
148 H1* G 14 H1* G 14 -13.393 7.203 -5.684
149 H8 G 14 H8 G 14 -11.794 5.907 -2.887
150 H1 G 14 H1 G 14 -7.275 8.252 -6.717
151 1H2 G 14 1H2 G 14 -9.751 8.119 -9.171
152 2H2 G 14 2H2 G 14 -8.097 8.516 -8.766
153 1H5* G 15 1H5* G 15 -13.369 3.158 -9.968
154 2H5* G 15 2H5* G 15 -12.691 1.641 -10.617
155 H4* G 15 H4* G 15 -11.977 3.689 -11.865
156 H3* G 15 H3* G 15 -9.920 2.109 -10.293
157 H2* G 15 1H2* G 15 -8.223 3.525 -11.072
158 2HO* G 15 2HO* G 15 -10.042 4.787 -12.865
159 H1* G 15 H1* G 15 -9.637 5.886 -10.891
160 H8 G 15 H8 G 15 -10.409 4.113 -7.748
161 H1 G 15 H1 G 15 -4.367 6.144 -7.814
162 1H2 G 15 1H2 G 15 -4.909 6.653 -11.222
163 2H2 G 15 2H2 G 15 -3.798 6.748 -9.874
164 1H5* G 16 1H5* G 16 -7.796 3.123 -13.516
165 2H5* G 16 2H5* G 16 -7.452 1.632 -14.430
166 H4* G 16 H4* G 16 -5.418 2.930 -14.250
167 H3* G 16 H3* G 16 -5.570 0.591 -12.323
168 H2* G 16 1H2* G 16 -3.392 1.068 -11.590
169 2HO* G 16 2HO* G 16 -2.922 1.695 -14.042
170 H1* G 16 H1* G 16 -3.638 3.825 -11.603
171 H8 G 16 H8 G 16 -6.747 2.544 -10.037
172 H1 G 16 H1 G 16 -1.748 1.965 -6.122
173 1H2 G 16 1H2 G 16 0.162 2.639 -8.961
174 2H2 G 16 2H2 G 16 0.137 2.276 -7.250
175 1H5* A 17 1H5* A 17 -1.437 -2.558 -14.158
176 2H5* A 17 2H5* A 17 -2.578 -2.605 -12.799
177 H4* A 17 H4* A 17 0.042 -1.104 -13.013
178 H3* A 17 H3* A 17 -1.197 -3.167 -11.169
179 H2* A 17 1H2* A 17 0.066 -2.334 -9.373
180 2HO* A 17 2HO* A 17 1.691 -0.610 -9.884
181 H1* A 17 H1* A 17 -0.218 0.339 -9.973
182 H8 A 17 H8 A 17 -3.633 -0.726 -10.506
183 1H6 A 17 1H6 A 17 -4.365 -1.627 -4.461
184 2H6 A 17 2H6 A 17 -5.186 -1.464 -5.997
185 H2 A 17 H2 A 17 0.034 -1.213 -5.285
186 1H5* U 18 1H5* U 18 3.297 -5.107 -10.408
187 2H5* U 18 2H5* U 18 2.586 -3.484 -10.307
188 H4* U 18 H4* U 18 3.734 -4.263 -8.191
189 H3* U 18 H3* U 18 1.496 -6.304 -8.361
190 H2* U 18 1H2* U 18 1.258 -6.243 -6.031
191 2HO* U 18 2HO* U 18 2.810 -5.241 -4.681
192 H1* U 18 H1* U 18 1.578 -3.519 -5.731
193 H3 U 18 H3 U 18 -2.732 -4.561 -4.636
194 H5 U 18 H5 U 18 -2.677 -4.483 -8.849
195 H6 U 18 H6 U 18 -0.264 -4.273 -8.751
196 1H5* C 19 1H5* C 19 4.621 -7.980 -5.568
197 2H5* C 19 2H5* C 19 4.409 -9.740 -5.473
198 H4* C 19 H4* C 19 4.149 -8.462 -3.275
199 H3* C 19 H3* C 19 1.952 -10.230 -4.407
200 H2* C 19 1H2* C 19 0.727 -9.890 -2.427
201 2HO* C 19 2HO* C 19 1.634 -9.389 -0.546
202 H1* C 19 H1* C 19 1.320 -7.204 -2.161
203 1H4 C 19 1H4 C 19 -3.728 -7.829 -6.405
204 2H4 C 19 2H4 C 19 -4.453 -7.537 -4.840
205 H5 C 19 H5 C 19 -1.363 -8.138 -6.727
206 H6 C 19 H6 C 19 0.820 -8.229 -5.621
207 1H5* U 20 1H5* U 20 2.462 -11.515 -0.522
208 2H5* U 20 2H5* U 20 2.070 -13.235 -0.314
209 H4* U 20 H4* U 20 0.544 -11.664 0.944
210 H3* U 20 H3* U 20 -0.520 -13.526 -1.202
211 H2* U 20 1H2* U 20 -2.704 -12.835 -0.709
212 2HO* U 20 2HO* U 20 -3.207 -11.657 1.175
213 H1* U 20 H1* U 20 -2.126 -10.159 -0.325
214 H3 U 20 H3 U 20 -4.801 -10.510 -4.005
215 H5 U 20 H5 U 20 -0.965 -11.594 -5.365
216 H6 U 20 H6 U 20 -0.206 -11.554 -3.062
217 1H5* C 21 1H5* C 21 -3.076 -13.940 2.418
218 2H5* C 21 2H5* C 21 -3.087 -15.689 2.725
219 H4* C 21 H4* C 21 -5.371 -14.891 2.860
220 H3* C 21 H3* C 21 -4.671 -16.405 0.325
221 H2* C 21 1H2* C 21 -6.895 -16.229 -0.402
222 2HO* C 21 2HO* C 21 -7.766 -16.765 1.743
223 H1* C 21 H1* C 21 -7.329 -13.638 0.463
224 1H4 C 21 1H4 C 21 -4.310 -13.467 -5.439
225 2H4 C 21 2H4 C 21 -6.007 -13.179 -5.748
226 H5 C 21 H5 C 21 -3.436 -13.992 -3.256
227 H6 C 21 H6 C 21 -4.001 -14.360 -0.901
228 H3T C 21 H3T C 21 -5.325 -18.065 1.517
Start of MODEL 22
1 1H5* G 1 1H5* G 1 -14.811 -8.007 -9.978
2 2H5* G 1 2H5* G 1 -15.092 -6.883 -8.623
3 H4* G 1 H4* G 1 -15.867 -9.158 -8.086
4 H3* G 1 H3* G 1 -13.355 -8.188 -6.690
5 H2* G 1 1H2* G 1 -13.281 -10.180 -5.439
6 2HO* G 1 2HO* G 1 -15.412 -10.439 -4.839
7 H1* G 1 H1* G 1 -13.928 -11.882 -7.497
8 H8 G 1 H8 G 1 -11.622 -9.761 -9.287
9 H1 G 1 H1 G 1 -8.505 -12.833 -4.653
10 1H2 G 1 1H2 G 1 -11.682 -13.485 -3.370
11 2H2 G 1 2H2 G 1 -9.952 -13.675 -3.195
12 H5T G 1 H5T G 1 -13.068 -6.452 -8.767
13 1H5* G 2 1H5* G 2 -15.620 -9.473 -3.248
14 2H5* G 2 2H5* G 2 -15.723 -8.025 -2.210
15 H4* G 2 H4* G 2 -14.929 -10.003 -0.960
16 H3* G 2 H3* G 2 -12.922 -7.804 -1.542
17 H2* G 2 1H2* G 2 -11.282 -8.955 -0.320
18 2HO* G 2 2HO* G 2 -13.080 -10.947 0.560
19 H1* G 2 H1* G 2 -11.924 -11.493 -1.199
20 H8 G 2 H8 G 2 -12.049 -9.151 -4.124
21 H1 G 2 H1 G 2 -6.079 -10.680 -2.513
22 1H2 G 2 1H2 G 2 -7.516 -11.986 0.381
23 2H2 G 2 2H2 G 2 -6.058 -11.687 -0.537
24 1H5* G 3 1H5* G 3 -11.489 -5.767 3.088
25 2H5* G 3 2H5* G 3 -10.984 -5.574 1.388
26 H4* G 3 H4* G 3 -9.983 -7.486 3.535
27 H3* G 3 H3* G 3 -8.806 -5.347 1.734
28 H2* G 3 1H2* G 3 -6.746 -6.468 1.719
29 2HO* G 3 2HO* G 3 -7.736 -7.591 4.084
30 H1* G 3 H1* G 3 -7.759 -9.019 1.496
31 H8 G 3 H8 G 3 -9.874 -7.271 -0.890
32 H1 G 3 H1 G 3 -3.847 -7.324 -2.958
33 1H2 G 3 1H2 G 3 -3.064 -8.261 0.310
34 2H2 G 3 2H2 G 3 -2.481 -7.896 -1.298
35 1H5* A 4 1H5* A 4 -6.087 -1.883 4.982
36 2H5* A 4 2H5* A 4 -6.755 -2.155 3.360
37 H4* A 4 H4* A 4 -4.805 -3.965 4.847
38 H3* A 4 H3* A 4 -4.589 -2.044 2.511
39 H2* A 4 1H2* A 4 -2.985 -3.438 1.509
40 2HO* A 4 2HO* A 4 -1.710 -4.737 2.630
41 H1* A 4 H1* A 4 -4.217 -5.830 2.089
42 H8 A 4 H8 A 4 -7.150 -4.070 1.011
43 1H6 A 4 1H6 A 4 -5.040 -3.797 -4.765
44 2H6 A 4 2H6 A 4 -6.442 -3.595 -3.738
45 H2 A 4 H2 A 4 -1.624 -4.965 -2.090
46 1H5* U 5 1H5* U 5 -0.759 -2.017 4.479
47 2H5* U 5 2H5* U 5 0.105 -0.470 4.597
48 H4* U 5 H4* U 5 1.465 -2.098 3.366
49 H3* U 5 H3* U 5 0.250 0.194 1.795
50 H2* U 5 1H2* U 5 1.341 -0.546 -0.148
51 2HO* U 5 2HO* U 5 3.276 -1.181 1.421
52 H1* U 5 H1* U 5 0.945 -3.248 0.246
53 H3 U 5 H3 U 5 -1.480 -1.920 -3.403
54 H5 U 5 H5 U 5 -3.835 -0.860 -0.074
55 H6 U 5 H6 U 5 -1.961 -1.430 1.353
56 1H5* C 6 1H5* C 6 4.318 0.022 0.159
57 2H5* C 6 2H5* C 6 4.934 1.613 0.654
58 H4* C 6 H4* C 6 5.428 1.370 -1.690
59 H3* C 6 H3* C 6 3.038 3.129 -1.069
60 H2* C 6 1H2* C 6 2.778 3.616 -3.352
61 2HO* C 6 2HO* C 6 4.375 3.122 -4.887
62 H1* C 6 H1* C 6 3.257 1.071 -4.282
63 1H4 C 6 1H4 C 6 -3.001 1.456 -2.107
64 2H4 C 6 2H4 C 6 -3.078 1.584 -3.849
65 H5 C 6 H5 C 6 -0.934 1.332 -0.884
66 H6 C 6 H6 C 6 1.507 1.323 -1.060
67 1H5* A 7 1H5* A 7 6.101 5.482 -3.079
68 2H5* A 7 2H5* A 7 5.965 7.239 -2.875
69 H4* A 7 H4* A 7 5.644 6.173 -5.254
70 H3* A 7 H3* A 7 4.917 8.576 -4.201
71 H2* A 7 1H2* A 7 2.805 8.019 -3.402
72 2HO* A 7 2HO* A 7 2.255 8.523 -6.163
73 H1* A 7 H1* A 7 2.110 6.362 -5.808
74 H8 A 7 H8 A 7 2.393 6.315 -1.941
75 1H6 A 7 1H6 A 7 -3.242 3.825 -2.035
76 2H6 A 7 2H6 A 7 -1.948 4.405 -1.009
77 H2 A 7 H2 A 7 -1.890 4.399 -6.283
78 1H5* C 8 1H5* C 8 2.668 11.383 -8.139
79 2H5* C 8 2H5* C 8 2.270 10.041 -7.046
80 H4* C 8 H4* C 8 2.506 9.555 -10.021
81 H3* C 8 H3* C 8 0.198 10.806 -8.496
82 H2* C 8 1H2* C 8 -1.321 9.579 -9.796
83 2HO* C 8 2HO* C 8 0.817 8.779 -11.509
84 H1* C 8 H1* C 8 0.138 7.228 -9.891
85 1H4 C 8 1H4 C 8 -3.208 7.090 -4.206
86 2H4 C 8 2H4 C 8 -4.366 6.562 -5.406
87 H5 C 8 H5 C 8 -1.032 7.951 -4.763
88 H6 C 8 H6 C 8 0.522 8.466 -6.584
89 1H5* C 9 1H5* C 9 -2.697 13.267 -12.167
90 2H5* C 9 2H5* C 9 -2.916 12.849 -10.455
91 H4* C 9 H4* C 9 -3.652 11.217 -12.904
92 H3* C 9 H3* C 9 -5.076 12.370 -10.487
93 H2* C 9 1H2* C 9 -6.624 10.600 -10.546
94 2HO* C 9 2HO* C 9 -5.577 10.092 -13.154
95 H1* C 9 H1* C 9 -4.819 8.597 -11.086
96 1H4 C 9 1H4 C 9 -4.384 9.762 -4.597
97 2H4 C 9 2H4 C 9 -5.865 8.844 -4.762
98 H5 C 9 H5 C 9 -3.118 10.569 -6.477
99 H6 C 9 H6 C 9 -2.990 10.672 -8.921
100 1H5* A 10 1H5* A 10 -8.222 11.800 -12.437
101 2H5* A 10 2H5* A 10 -9.525 12.978 -12.170
102 H4* A 10 H4* A 10 -9.949 10.789 -11.032
103 H3* A 10 H3* A 10 -9.555 13.320 -9.404
104 H2* A 10 1H2* A 10 -9.977 12.123 -7.422
105 2HO* A 10 2HO* A 10 -10.665 9.834 -7.620
106 H1* A 10 H1* A 10 -8.541 9.875 -8.081
107 H8 A 10 H8 A 10 -6.622 12.894 -9.229
108 1H6 A 10 1H6 A 10 -4.550 13.485 -3.460
109 2H6 A 10 2H6 A 10 -4.371 14.036 -5.112
110 H2 A 10 H2 A 10 -7.839 10.420 -3.459
111 1H5* U 11 1H5* U 11 -12.672 11.612 -7.732
112 2H5* U 11 2H5* U 11 -14.159 12.580 -7.785
113 H4* U 11 H4* U 11 -13.698 11.657 -5.514
114 H3* U 11 H3* U 11 -14.611 14.161 -6.074
115 H2* U 11 1H2* U 11 -12.545 15.282 -6.098
116 2HO* U 11 2HO* U 11 -13.933 16.102 -4.329
117 H1* U 11 H1* U 11 -11.548 13.823 -3.659
118 H3 U 11 H3 U 11 -7.467 15.589 -4.158
119 H5 U 11 H5 U 11 -8.724 15.077 -8.145
120 H6 U 11 H6 U 11 -10.827 14.215 -7.304
121 1H5* U 12 1H5* U 12 -17.088 12.810 -1.645
122 2H5* U 12 2H5* U 12 -16.533 13.772 -0.265
123 H4* U 12 H4* U 12 -15.462 11.308 -1.317
124 H3* U 12 H3* U 12 -15.847 12.448 1.126
125 H2* U 12 1H2* U 12 -14.242 14.105 1.032
126 2HO* U 12 2HO* U 12 -13.628 12.622 2.744
127 H1* U 12 H1* U 12 -12.178 12.383 -0.317
128 H3 U 12 H3 U 12 -9.667 16.093 -0.609
129 H5 U 12 H5 U 12 -13.470 17.439 -1.828
130 H6 U 12 H6 U 12 -14.336 15.225 -1.350
131 1H5* A 13 1H5* A 13 -17.008 9.642 -0.572
132 2H5* A 13 2H5* A 13 -17.744 8.148 0.044
133 H4* A 13 H4* A 13 -17.112 7.548 -2.137
134 H3* A 13 H3* A 13 -15.769 6.339 -0.051
135 H2* A 13 1H2* A 13 -13.748 7.461 -0.211
136 2HO* A 13 2HO* A 13 -13.314 5.269 -0.835
137 H1* A 13 H1* A 13 -13.843 7.668 -3.210
138 H8 A 13 H8 A 13 -13.502 9.680 0.070
139 1H6 A 13 1H6 A 13 -8.863 12.613 -2.703
140 2H6 A 13 2H6 A 13 -9.745 12.421 -1.204
141 H2 A 13 H2 A 13 -10.718 9.804 -5.663
142 1H5* G 14 1H5* G 14 -14.131 2.328 -3.868
143 2H5* G 14 2H5* G 14 -13.644 3.597 -2.714
144 H4* G 14 H4* G 14 -15.469 4.308 -5.010
145 H3* G 14 H3* G 14 -12.551 3.516 -5.228
146 H2* G 14 1H2* G 14 -12.164 5.263 -6.721
147 2HO* G 14 2HO* G 14 -14.299 4.760 -7.840
148 H1* G 14 H1* G 14 -13.730 7.161 -5.486
149 H8 G 14 H8 G 14 -12.146 6.157 -2.579
150 H1 G 14 H1 G 14 -7.591 7.944 -6.660
151 1H2 G 14 1H2 G 14 -10.079 7.581 -9.080
152 2H2 G 14 2H2 G 14 -8.414 7.986 -8.724
153 1H5* G 15 1H5* G 15 -13.570 2.359 -9.533
154 2H5* G 15 2H5* G 15 -12.572 0.896 -9.750
155 H4* G 15 H4* G 15 -12.091 2.987 -11.217
156 H3* G 15 H3* G 15 -10.005 1.567 -9.530
157 H2* G 15 1H2* G 15 -8.358 2.986 -10.400
158 2HO* G 15 2HO* G 15 -10.301 3.639 -12.385
159 H1* G 15 H1* G 15 -9.870 5.297 -10.376
160 H8 G 15 H8 G 15 -10.565 3.799 -7.103
161 H1 G 15 H1 G 15 -4.530 5.828 -7.396
162 1H2 G 15 1H2 G 15 -5.086 6.010 -10.832
163 2H2 G 15 2H2 G 15 -3.970 6.233 -9.504
164 1H5* G 16 1H5* G 16 -7.977 2.533 -12.947
165 2H5* G 16 2H5* G 16 -7.729 0.986 -13.797
166 H4* G 16 H4* G 16 -5.696 2.248 -13.986
167 H3* G 16 H3* G 16 -5.582 0.187 -11.760
168 H2* G 16 1H2* G 16 -3.326 0.748 -11.392
169 2HO* G 16 2HO* G 16 -2.302 1.000 -13.260
170 H1* G 16 H1* G 16 -3.647 3.471 -11.635
171 H8 G 16 H8 G 16 -6.582 2.321 -9.684
172 H1 G 16 H1 G 16 -1.258 2.095 -6.190
173 1H2 G 16 1H2 G 16 0.392 2.549 -9.229
174 2H2 G 16 2H2 G 16 0.522 2.328 -7.499
175 1H5* A 17 1H5* A 17 -2.438 -1.058 -14.239
176 2H5* A 17 2H5* A 17 -2.081 -2.790 -14.078
177 H4* A 17 H4* A 17 -0.285 -1.261 -13.167
178 H3* A 17 H3* A 17 -1.735 -3.233 -11.368
179 H2* A 17 1H2* A 17 -0.257 -2.657 -9.622
180 2HO* A 17 2HO* A 17 1.702 -1.857 -9.959
181 H1* A 17 H1* A 17 -0.302 0.050 -10.081
182 H8 A 17 H8 A 17 -3.805 -1.145 -10.549
183 1H6 A 17 1H6 A 17 -4.397 -1.359 -4.426
184 2H6 A 17 2H6 A 17 -5.246 -1.437 -5.953
185 H2 A 17 H2 A 17 -0.048 -0.756 -5.383
186 1H5* U 18 1H5* U 18 2.098 -3.658 -10.743
187 2H5* U 18 2H5* U 18 2.775 -5.299 -10.746
188 H4* U 18 H4* U 18 3.439 -4.242 -8.680
189 H3* U 18 H3* U 18 1.150 -6.220 -8.386
190 H2* U 18 1H2* U 18 1.291 -5.944 -6.043
191 2HO* U 18 2HO* U 18 3.014 -4.669 -5.122
192 H1* U 18 H1* U 18 1.541 -3.214 -6.101
193 H3 U 18 H3 U 18 -2.640 -4.026 -4.506
194 H5 U 18 H5 U 18 -2.943 -4.792 -8.639
195 H6 U 18 H6 U 18 -0.539 -4.518 -8.801
196 1H5* C 19 1H5* C 19 4.460 -8.504 -6.439
197 2H5* C 19 2H5* C 19 3.953 -10.195 -6.265
198 H4* C 19 H4* C 19 4.036 -8.737 -4.126
199 H3* C 19 H3* C 19 1.640 -10.382 -5.008
200 H2* C 19 1H2* C 19 0.536 -9.798 -3.020
201 2HO* C 19 2HO* C 19 1.957 -8.423 -1.475
202 H1* C 19 H1* C 19 1.380 -7.164 -2.944
203 1H4 C 19 1H4 C 19 -3.898 -7.477 -6.924
204 2H4 C 19 2H4 C 19 -4.554 -7.278 -5.315
205 H5 C 19 H5 C 19 -1.555 -7.820 -7.360
206 H6 C 19 H6 C 19 0.666 -8.032 -6.353
207 1H5* U 20 1H5* U 20 2.183 -11.673 -1.218
208 2H5* U 20 2H5* U 20 2.022 -13.431 -1.030
209 H4* U 20 H4* U 20 0.357 -12.307 0.362
210 H3* U 20 H3* U 20 -0.658 -13.723 -2.122
211 H2* U 20 1H2* U 20 -2.866 -13.207 -1.521
212 2HO* U 20 2HO* U 20 -2.346 -13.721 0.814
213 H1* U 20 H1* U 20 -2.378 -10.644 -0.619
214 H3 U 20 H3 U 20 -4.916 -10.181 -4.355
215 H5 U 20 H5 U 20 -1.094 -11.183 -5.820
216 H6 U 20 H6 U 20 -0.393 -11.581 -3.534
217 1H5* C 21 1H5* C 21 -2.803 -16.315 1.226
218 2H5* C 21 2H5* C 21 -3.033 -17.817 0.310
219 H4* C 21 H4* C 21 -5.152 -16.635 1.181
220 H3* C 21 H3* C 21 -4.710 -17.411 -1.722
221 H2* C 21 1H2* C 21 -6.892 -16.694 -2.218
222 2HO* C 21 2HO* C 21 -7.815 -17.707 -0.283
223 H1* C 21 H1* C 21 -6.869 -14.451 -0.595
224 1H4 C 21 1H4 C 21 -4.037 -12.928 -6.391
225 2H4 C 21 2H4 C 21 -5.705 -12.417 -6.521
226 H5 C 21 H5 C 21 -3.164 -14.120 -4.488
227 H6 C 21 H6 C 21 -3.704 -15.083 -2.300
228 H3T C 21 H3T C 21 -5.699 -19.223 -1.064
Start of MODEL 23
1 1H5* G 1 1H5* G 1 -13.999 -10.050 -9.225
2 2H5* G 1 2H5* G 1 -12.749 -11.141 -9.877
3 H4* G 1 H4* G 1 -15.047 -12.164 -8.181
4 H3* G 1 H3* G 1 -12.530 -10.731 -7.282
5 H2* G 1 1H2* G 1 -12.329 -12.220 -5.473
6 2HO* G 1 2HO* G 1 -14.325 -13.887 -5.566
7 H1* G 1 H1* G 1 -12.966 -14.504 -6.861
8 H8 G 1 H8 G 1 -10.826 -13.142 -9.369
9 H1 G 1 H1 G 1 -7.412 -13.947 -4.047
10 1H2 G 1 1H2 G 1 -10.509 -14.262 -2.477
11 2H2 G 1 2H2 G 1 -8.767 -14.258 -2.316
12 H5T G 1 H5T G 1 -15.498 -10.997 -10.459
13 1H5* G 2 1H5* G 2 -14.621 -11.332 -3.587
14 2H5* G 2 2H5* G 2 -14.961 -9.683 -2.999
15 H4* G 2 H4* G 2 -14.090 -11.139 -1.205
16 H3* G 2 H3* G 2 -12.261 -8.958 -2.252
17 H2* G 2 1H2* G 2 -10.645 -9.532 -0.644
18 2HO* G 2 2HO* G 2 -12.717 -11.072 0.586
19 H1* G 2 H1* G 2 -10.905 -12.259 -0.876
20 H8 G 2 H8 G 2 -11.075 -10.980 -4.354
21 H1 G 2 H1 G 2 -5.159 -10.579 -2.023
22 1H2 G 2 1H2 G 2 -6.653 -11.226 1.057
23 2H2 G 2 2H2 G 2 -5.180 -10.907 0.169
24 1H5* G 3 1H5* G 3 -11.985 -5.484 2.241
25 2H5* G 3 2H5* G 3 -11.348 -5.584 0.579
26 H4* G 3 H4* G 3 -10.609 -7.204 3.057
27 H3* G 3 H3* G 3 -9.194 -5.294 1.173
28 H2* G 3 1H2* G 3 -7.170 -6.437 1.535
29 2HO* G 3 2HO* G 3 -7.854 -6.707 3.928
30 H1* G 3 H1* G 3 -8.210 -8.979 1.435
31 H8 G 3 H8 G 3 -10.033 -7.665 -1.358
32 H1 G 3 H1 G 3 -3.804 -7.367 -2.657
33 1H2 G 3 1H2 G 3 -3.380 -7.870 0.767
34 2H2 G 3 2H2 G 3 -2.627 -7.624 -0.792
35 1H5* A 4 1H5* A 4 -7.091 -4.276 4.817
36 2H5* A 4 2H5* A 4 -6.446 -2.624 4.732
37 H4* A 4 H4* A 4 -4.742 -4.537 4.538
38 H3* A 4 H3* A 4 -5.041 -2.316 2.493
39 H2* A 4 1H2* A 4 -3.219 -3.179 1.292
40 2HO* A 4 2HO* A 4 -1.594 -4.038 2.324
41 H1* A 4 H1* A 4 -3.844 -5.850 1.601
42 H8 A 4 H8 A 4 -7.094 -4.385 0.752
43 1H6 A 4 1H6 A 4 -5.222 -3.710 -5.077
44 2H6 A 4 2H6 A 4 -6.604 -3.699 -4.004
45 H2 A 4 H2 A 4 -1.620 -4.621 -2.553
46 1H5* U 5 1H5* U 5 -0.999 -2.280 4.188
47 2H5* U 5 2H5* U 5 -0.246 -0.673 4.227
48 H4* U 5 H4* U 5 1.106 -2.384 2.977
49 H3* U 5 H3* U 5 -0.003 0.068 1.577
50 H2* U 5 1H2* U 5 1.087 -0.567 -0.407
51 2HO* U 5 2HO* U 5 2.547 -2.359 1.264
52 H1* U 5 H1* U 5 0.523 -3.250 -0.251
53 H3 U 5 H3 U 5 -1.914 -1.561 -3.717
54 H5 U 5 H5 U 5 -4.088 -0.509 -0.266
55 H6 U 5 H6 U 5 -2.223 -1.293 1.070
56 1H5* C 6 1H5* C 6 3.956 -0.066 0.422
57 2H5* C 6 2H5* C 6 4.760 1.501 0.643
58 H4* C 6 H4* C 6 5.080 0.758 -1.662
59 H3* C 6 H3* C 6 3.142 3.050 -1.213
60 H2* C 6 1H2* C 6 2.806 3.244 -3.529
61 2HO* C 6 2HO* C 6 4.189 2.355 -5.042
62 H1* C 6 H1* C 6 2.765 0.541 -4.096
63 1H4 C 6 1H4 C 6 -3.242 2.296 -1.918
64 2H4 C 6 2H4 C 6 -3.327 2.359 -3.663
65 H5 C 6 H5 C 6 -1.208 1.827 -0.713
66 H6 C 6 H6 C 6 1.186 1.361 -0.920
67 1H5* A 7 1H5* A 7 5.869 4.004 -4.122
68 2H5* A 7 2H5* A 7 6.455 5.677 -4.188
69 H4* A 7 H4* A 7 5.309 4.760 -6.302
70 H3* A 7 H3* A 7 5.472 7.309 -5.356
71 H2* A 7 1H2* A 7 3.510 7.384 -4.113
72 2HO* A 7 2HO* A 7 2.532 7.917 -6.746
73 H1* A 7 H1* A 7 1.898 5.897 -6.162
74 H8 A 7 H8 A 7 2.950 6.132 -2.443
75 1H6 A 7 1H6 A 7 -2.917 4.773 -1.168
76 2H6 A 7 2H6 A 7 -1.367 5.209 -0.487
77 H2 A 7 H2 A 7 -2.370 4.562 -5.624
78 1H5* C 8 1H5* C 8 3.018 9.989 -9.478
79 2H5* C 8 2H5* C 8 2.806 8.973 -8.039
80 H4* C 8 H4* C 8 2.703 7.629 -10.719
81 H3* C 8 H3* C 8 0.570 9.474 -9.580
82 H2* C 8 1H2* C 8 -1.065 8.025 -10.453
83 2HO* C 8 2HO* C 8 -0.391 7.519 -12.472
84 H1* C 8 H1* C 8 0.233 5.683 -9.774
85 1H4 C 8 1H4 C 8 -3.032 7.784 -4.422
86 2H4 C 8 2H4 C 8 -4.232 6.943 -5.376
87 H5 C 8 H5 C 8 -0.802 8.247 -5.218
88 H6 C 8 H6 C 8 0.776 7.950 -7.072
89 1H5* C 9 1H5* C 9 -0.765 9.153 -13.950
90 2H5* C 9 2H5* C 9 -1.656 10.670 -14.184
91 H4* C 9 H4* C 9 -2.923 8.388 -14.435
92 H3* C 9 H3* C 9 -3.859 10.804 -12.852
93 H2* C 9 1H2* C 9 -5.858 9.682 -12.351
94 2HO* C 9 2HO* C 9 -5.139 7.673 -14.249
95 H1* C 9 H1* C 9 -4.749 7.182 -11.952
96 1H4 C 9 1H4 C 9 -4.115 10.461 -6.256
97 2H4 C 9 2H4 C 9 -5.756 9.854 -6.235
98 H5 C 9 H5 C 9 -2.668 10.288 -8.176
99 H6 C 9 H6 C 9 -2.479 9.490 -10.484
100 1H5* A 10 1H5* A 10 -8.802 11.714 -15.248
101 2H5* A 10 2H5* A 10 -7.746 12.670 -14.189
102 H4* A 10 H4* A 10 -9.271 10.134 -13.568
103 H3* A 10 H3* A 10 -8.936 12.903 -12.370
104 H2* A 10 1H2* A 10 -9.367 12.044 -10.233
105 2HO* A 10 2HO* A 10 -10.245 9.639 -11.510
106 H1* A 10 H1* A 10 -7.968 9.685 -10.506
107 H8 A 10 H8 A 10 -5.664 12.118 -11.937
108 1H6 A 10 1H6 A 10 -4.457 14.295 -6.307
109 2H6 A 10 2H6 A 10 -3.945 14.286 -7.980
110 H2 A 10 H2 A 10 -8.097 11.676 -6.042
111 1H5* U 11 1H5* U 11 -11.899 11.475 -10.010
112 2H5* U 11 2H5* U 11 -13.379 12.145 -10.728
113 H4* U 11 H4* U 11 -13.511 12.184 -8.266
114 H3* U 11 H3* U 11 -14.183 14.273 -9.880
115 H2* U 11 1H2* U 11 -12.146 15.437 -9.818
116 2HO* U 11 2HO* U 11 -13.254 17.104 -9.064
117 H1* U 11 H1* U 11 -11.786 14.992 -6.864
118 H3 U 11 H3 U 11 -7.690 16.789 -7.114
119 H5 U 11 H5 U 11 -7.927 14.552 -10.677
120 H6 U 11 H6 U 11 -10.197 13.954 -10.075
121 1H5* U 12 1H5* U 12 -17.554 14.364 -5.925
122 2H5* U 12 2H5* U 12 -17.438 15.834 -4.944
123 H4* U 12 H4* U 12 -16.007 13.345 -4.683
124 H3* U 12 H3* U 12 -17.024 15.251 -3.029
125 H2* U 12 1H2* U 12 -15.517 16.958 -3.444
126 2HO* U 12 2HO* U 12 -14.871 17.018 -1.434
127 H1* U 12 H1* U 12 -13.116 15.154 -3.545
128 H3 U 12 H3 U 12 -10.688 18.656 -4.903
129 H5 U 12 H5 U 12 -14.277 19.141 -7.057
130 H6 U 12 H6 U 12 -15.147 17.181 -5.923
131 1H5* A 13 1H5* A 13 -17.720 12.636 -3.569
132 2H5* A 13 2H5* A 13 -18.736 11.288 -3.020
133 H4* A 13 H4* A 13 -17.390 10.168 -4.532
134 H3* A 13 H3* A 13 -16.651 9.786 -1.831
135 H2* A 13 1H2* A 13 -14.533 10.698 -1.919
136 2HO* A 13 2HO* A 13 -14.201 8.377 -1.896
137 H1* A 13 H1* A 13 -14.186 10.081 -4.849
138 H8 A 13 H8 A 13 -14.187 13.020 -2.333
139 1H6 A 13 1H6 A 13 -8.741 14.526 -4.773
140 2H6 A 13 2H6 A 13 -9.919 14.930 -3.545
141 H2 A 13 H2 A 13 -10.342 10.947 -6.969
142 1H5* G 14 1H5* G 14 -15.021 4.673 -4.183
143 2H5* G 14 2H5* G 14 -14.436 6.107 -3.301
144 H4* G 14 H4* G 14 -16.031 6.487 -5.836
145 H3* G 14 H3* G 14 -13.241 5.315 -5.638
146 H2* G 14 1H2* G 14 -12.530 6.614 -7.437
147 2HO* G 14 2HO* G 14 -14.011 7.717 -8.807
148 H1* G 14 H1* G 14 -13.872 8.922 -6.786
149 H8 G 14 H8 G 14 -12.634 8.444 -3.602
150 H1 G 14 H1 G 14 -7.612 8.532 -7.523
151 1H2 G 14 1H2 G 14 -9.975 7.960 -10.022
152 2H2 G 14 2H2 G 14 -8.292 8.194 -9.608
153 1H5* G 15 1H5* G 15 -13.248 1.795 -10.176
154 2H5* G 15 2H5* G 15 -12.243 1.891 -8.706
155 H4* G 15 H4* G 15 -12.115 3.413 -11.313
156 H3* G 15 H3* G 15 -10.184 2.100 -9.373
157 H2* G 15 1H2* G 15 -8.477 3.495 -10.134
158 2HO* G 15 2HO* G 15 -8.604 4.662 -12.058
159 H1* G 15 H1* G 15 -9.974 5.790 -10.399
160 H8 G 15 H8 G 15 -11.053 4.782 -7.142
161 H1 G 15 H1 G 15 -4.783 5.897 -6.975
162 1H2 G 15 1H2 G 15 -4.992 5.732 -10.453
163 2H2 G 15 2H2 G 15 -3.980 5.960 -9.044
164 1H5* G 16 1H5* G 16 -8.051 2.795 -12.980
165 2H5* G 16 2H5* G 16 -7.663 1.171 -13.608
166 H4* G 16 H4* G 16 -5.765 2.718 -13.868
167 H3* G 16 H3* G 16 -5.512 0.566 -11.746
168 H2* G 16 1H2* G 16 -3.306 1.255 -11.308
169 2HO* G 16 2HO* G 16 -3.467 2.965 -13.592
170 H1* G 16 H1* G 16 -3.793 3.954 -11.389
171 H8 G 16 H8 G 16 -6.717 2.525 -9.618
172 H1 G 16 H1 G 16 -1.492 2.311 -5.980
173 1H2 G 16 1H2 G 16 0.219 3.055 -8.925
174 2H2 G 16 2H2 G 16 0.310 2.722 -7.210
175 1H5* A 17 1H5* A 17 -2.287 -0.345 -14.245
176 2H5* A 17 2H5* A 17 -1.840 -2.063 -14.215
177 H4* A 17 H4* A 17 -0.125 -0.541 -13.172
178 H3* A 17 H3* A 17 -1.516 -2.700 -11.559
179 H2* A 17 1H2* A 17 -0.177 -2.177 -9.700
180 2HO* A 17 2HO* A 17 1.852 -1.824 -10.245
181 H1* A 17 H1* A 17 -0.285 0.557 -9.975
182 H8 A 17 H8 A 17 -3.719 -0.699 -10.697
183 1H6 A 17 1H6 A 17 -4.596 -1.378 -4.647
184 2H6 A 17 2H6 A 17 -5.366 -1.371 -6.217
185 H2 A 17 H2 A 17 -0.227 -0.580 -5.340
186 1H5* U 18 1H5* U 18 2.574 -3.566 -11.056
187 2H5* U 18 2H5* U 18 2.870 -5.294 -10.776
188 H4* U 18 H4* U 18 3.443 -3.777 -8.822
189 H3* U 18 H3* U 18 1.401 -6.011 -8.593
190 H2* U 18 1H2* U 18 1.168 -5.555 -6.305
191 2HO* U 18 2HO* U 18 3.740 -4.676 -6.570
192 H1* U 18 H1* U 18 1.278 -2.800 -6.497
193 H3 U 18 H3 U 18 -2.895 -3.969 -5.050
194 H5 U 18 H5 U 18 -2.974 -4.610 -9.215
195 H6 U 18 H6 U 18 -0.583 -4.202 -9.258
196 1H5* C 19 1H5* C 19 4.432 -6.359 -5.417
197 2H5* C 19 2H5* C 19 4.902 -8.065 -5.265
198 H4* C 19 H4* C 19 4.369 -7.125 -3.057
199 H3* C 19 H3* C 19 2.442 -9.151 -4.234
200 H2* C 19 1H2* C 19 1.181 -9.095 -2.246
201 2HO* C 19 2HO* C 19 3.280 -7.541 -1.079
202 H1* C 19 H1* C 19 1.267 -6.377 -1.889
203 1H4 C 19 1H4 C 19 -3.310 -7.717 -6.501
204 2H4 C 19 2H4 C 19 -4.179 -7.560 -4.991
205 H5 C 19 H5 C 19 -0.908 -7.643 -6.654
206 H6 C 19 H6 C 19 1.178 -7.395 -5.396
207 1H5* U 20 1H5* U 20 3.243 -10.573 -0.465
208 2H5* U 20 2H5* U 20 3.136 -12.340 -0.325
209 H4* U 20 H4* U 20 1.395 -11.117 1.017
210 H3* U 20 H3* U 20 0.600 -12.973 -1.249
211 H2* U 20 1H2* U 20 -1.661 -12.632 -0.737
212 2HO* U 20 2HO* U 20 -2.314 -12.304 1.248
213 H1* U 20 H1* U 20 -1.486 -9.933 -0.181
214 H3 U 20 H3 U 20 -4.041 -10.303 -3.919
215 H5 U 20 H5 U 20 -0.112 -10.994 -5.277
216 H6 U 20 H6 U 20 0.621 -10.983 -2.966
217 1H5* C 21 1H5* C 21 -1.750 -14.079 2.403
218 2H5* C 21 2H5* C 21 -1.617 -15.847 2.509
219 H4* C 21 H4* C 21 -3.958 -15.198 2.756
220 H3* C 21 H3* C 21 -3.174 -16.517 0.138
221 H2* C 21 1H2* C 21 -5.410 -16.467 -0.570
222 2HO* C 21 2HO* C 21 -6.240 -15.614 2.020
223 H1* C 21 H1* C 21 -6.028 -13.963 0.428
224 1H4 C 21 1H4 C 21 -3.038 -13.273 -5.449
225 2H4 C 21 2H4 C 21 -4.753 -13.092 -5.747
226 H5 C 21 H5 C 21 -2.126 -13.845 -3.296
227 H6 C 21 H6 C 21 -2.659 -14.373 -0.964
228 H3T C 21 H3T C 21 -4.523 -18.176 1.292
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